REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2h43_1_F DATA FIRST_RESID 103 DATA SEQUENCE HDSSIRYLQE IYNSNNQKIV NLKEKVAQLE AQCQEPCKDT VQIHDITGKD DATA SEQUENCE cQDIANKGAK QSGLYFIKPL KANQQFLVYc EIDGSGNGWT VFQKRLDGSV DATA SEQUENCE DFKKNWIQYK EGFGHLSPTG TTEFWLGNEK IHLISTQSAI PYALRVELED DATA SEQUENCE WNGRTSTADY AMFKVGPEAD KYRLTYAYFA GGDAGDAFDG FDFGDDPSDK DATA SEQUENCE FFTSHNGMQF STWDNDNDKF EGNcAEQDGS GWWMNKcHAG HLNGVYYQGG DATA SEQUENCE TYSKASTPNG YDNGIIWATW KTRWYSMKKT TMKIIPFNRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 103 H HA 0.000 nan 4.556 nan 0.000 0.296 103 H C 0.000 175.335 175.328 0.012 0.000 0.993 103 H CA 0.000 56.051 56.048 0.005 0.000 1.023 103 H CB 0.000 29.764 29.762 0.003 0.000 1.292 104 D N 1.279 121.772 120.400 0.156 0.000 2.489 104 D HA -0.005 4.635 4.640 -0.000 0.000 0.264 104 D C 0.948 177.291 176.300 0.071 0.000 1.294 104 D CA 0.885 54.937 54.000 0.087 0.000 0.938 104 D CB 0.189 41.025 40.800 0.061 0.000 0.985 104 D HN 0.210 nan 8.370 nan 0.000 0.492 105 S N -2.108 113.643 115.700 0.084 0.000 3.084 105 S HA 0.052 4.522 4.470 -0.000 0.000 0.262 105 S C 1.744 176.401 174.600 0.095 0.000 1.081 105 S CA 0.118 58.362 58.200 0.074 0.000 0.855 105 S CB -0.073 63.158 63.200 0.052 0.000 0.857 105 S HN 0.151 nan 8.310 nan 0.000 0.449 106 S N 1.971 117.728 115.700 0.095 0.000 2.399 106 S HA 0.045 4.514 4.470 -0.000 0.000 0.231 106 S C 1.600 176.284 174.600 0.140 0.000 1.022 106 S CA 1.122 59.382 58.200 0.100 0.000 0.983 106 S CB -0.347 62.894 63.200 0.069 0.000 0.803 106 S HN 0.458 nan 8.310 nan 0.000 0.480 107 I N 1.392 122.018 120.570 0.092 0.000 2.072 107 I HA -0.235 3.935 4.170 -0.000 0.000 0.235 107 I C 2.606 178.776 176.117 0.089 0.000 1.058 107 I CA 1.298 62.639 61.300 0.067 0.000 1.320 107 I CB -0.373 37.650 38.000 0.038 0.000 1.047 107 I HN 0.186 nan 8.210 nan 0.000 0.397 108 R N -0.294 120.258 120.500 0.086 0.000 2.178 108 R HA -0.312 4.028 4.340 -0.000 0.000 0.257 108 R C 2.321 178.687 176.300 0.109 0.000 1.163 108 R CA 2.419 58.569 56.100 0.084 0.000 0.981 108 R CB -0.981 29.368 30.300 0.083 0.000 0.878 108 R HN 0.429 nan 8.270 nan 0.000 0.454 109 Y N 1.590 121.904 120.300 0.024 0.000 2.114 109 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 109 Y C 2.096 178.015 175.900 0.031 0.000 1.143 109 Y CA 1.659 59.774 58.100 0.025 0.000 1.135 109 Y CB -0.383 38.090 38.460 0.022 0.000 0.980 109 Y HN -0.064 nan 8.280 nan 0.000 0.499 110 L N -0.398 120.834 121.223 0.016 0.000 2.017 110 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 110 L C 2.532 179.379 176.870 -0.038 0.000 1.073 110 L CA 1.673 56.477 54.840 -0.060 0.000 0.745 110 L CB -0.962 41.121 42.059 0.039 0.000 0.894 110 L HN 0.187 nan 8.230 nan 0.000 0.432 111 Q N 0.288 120.094 119.800 0.009 0.000 2.197 111 Q HA -0.260 4.080 4.340 -0.000 0.000 0.211 111 Q C 2.160 178.189 176.000 0.048 0.000 0.993 111 Q CA 1.802 57.633 55.803 0.048 0.000 0.883 111 Q CB -0.072 28.687 28.738 0.036 0.000 0.916 111 Q HN 0.366 nan 8.270 nan 0.000 0.418 112 E N -0.480 119.700 120.200 -0.034 0.000 2.031 112 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 112 E C 1.930 178.477 176.600 -0.089 0.000 0.994 112 E CA 0.899 57.259 56.400 -0.067 0.000 0.800 112 E CB -0.248 29.381 29.700 -0.119 0.000 0.752 112 E HN 0.354 nan 8.360 nan 0.000 0.447 113 I N 0.693 121.167 120.570 -0.159 0.000 2.208 113 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 113 I C 2.340 178.436 176.117 -0.035 0.000 1.097 113 I CA 1.079 62.300 61.300 -0.131 0.000 1.363 113 I CB -1.179 36.709 38.000 -0.187 0.000 1.051 113 I HN 0.170 nan 8.210 nan 0.000 0.413 114 Y N 2.274 122.519 120.300 -0.093 0.000 2.036 114 Y HA -0.303 4.247 4.550 -0.000 0.000 0.273 114 Y C 2.454 178.325 175.900 -0.049 0.000 1.135 114 Y CA 2.328 60.393 58.100 -0.058 0.000 1.106 114 Y CB -0.474 37.959 38.460 -0.045 0.000 0.976 114 Y HN 0.241 nan 8.280 nan 0.000 0.483 115 N N -0.439 118.211 118.700 -0.084 0.000 2.272 115 N HA -0.203 4.537 4.740 -0.000 0.000 0.185 115 N C 1.968 177.385 175.510 -0.155 0.000 1.014 115 N CA 1.012 53.965 53.050 -0.161 0.000 0.870 115 N CB -0.242 38.236 38.487 -0.015 0.000 0.975 115 N HN 0.441 nan 8.380 nan 0.000 0.433 116 S N 1.248 116.877 115.700 -0.119 0.000 2.357 116 S HA -0.077 4.393 4.470 -0.000 0.000 0.221 116 S C 1.590 176.117 174.600 -0.121 0.000 1.031 116 S CA 0.844 58.984 58.200 -0.100 0.000 0.982 116 S CB -0.400 62.751 63.200 -0.082 0.000 0.853 116 S HN 0.293 nan 8.310 nan 0.000 0.458 117 N N 1.878 120.492 118.700 -0.144 0.000 2.043 117 N HA -0.064 4.676 4.740 -0.000 0.000 0.193 117 N C 0.238 175.637 175.510 -0.184 0.000 1.037 117 N CA 1.291 54.256 53.050 -0.142 0.000 0.851 117 N CB -0.449 37.961 38.487 -0.129 0.000 1.027 117 N HN 0.373 nan 8.380 nan 0.000 0.422 118 N N 1.141 119.655 118.700 -0.310 0.000 2.938 118 N HA -0.017 4.723 4.740 -0.000 0.000 0.286 118 N C 0.390 175.787 175.510 -0.189 0.000 1.316 118 N CA 0.471 53.336 53.050 -0.309 0.000 1.063 118 N CB 0.277 38.447 38.487 -0.530 0.000 1.388 118 N HN 0.305 nan 8.380 nan 0.000 0.545 119 Q N -1.189 118.531 119.800 -0.134 0.000 1.969 119 Q HA 0.053 4.393 4.340 -0.000 0.000 0.177 119 Q C 0.861 176.819 176.000 -0.070 0.000 0.686 119 Q CA 0.102 55.850 55.803 -0.091 0.000 0.788 119 Q CB 0.159 28.846 28.738 -0.085 0.000 1.223 119 Q HN 0.131 nan 8.270 nan 0.000 0.391 120 K N 1.109 121.465 120.400 -0.074 0.000 2.097 120 K HA 0.085 4.405 4.320 -0.000 0.000 0.205 120 K C 2.099 178.669 176.600 -0.051 0.000 1.050 120 K CA 0.856 57.110 56.287 -0.055 0.000 0.938 120 K CB 0.057 32.524 32.500 -0.054 0.000 0.718 120 K HN 0.292 nan 8.250 nan 0.000 0.442 121 I N 0.617 121.149 120.570 -0.063 0.000 2.202 121 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 121 I C 2.229 178.319 176.117 -0.046 0.000 1.091 121 I CA 0.746 62.014 61.300 -0.053 0.000 1.368 121 I CB -0.288 37.674 38.000 -0.063 0.000 1.058 121 I HN -0.179 nan 8.210 nan 0.000 0.410 122 V N 1.366 121.249 119.914 -0.052 0.000 2.392 122 V HA -0.320 3.800 4.120 -0.000 0.000 0.249 122 V C 1.958 178.033 176.094 -0.032 0.000 1.059 122 V CA 2.243 64.519 62.300 -0.041 0.000 1.051 122 V CB -1.036 30.762 31.823 -0.042 0.000 0.658 122 V HN 0.494 nan 8.190 nan 0.000 0.455 123 N N -0.084 118.596 118.700 -0.034 0.000 2.109 123 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 123 N C 1.828 177.324 175.510 -0.023 0.000 1.034 123 N CA 1.129 54.163 53.050 -0.027 0.000 0.846 123 N CB -0.249 38.222 38.487 -0.027 0.000 1.010 123 N HN 0.329 nan 8.380 nan 0.000 0.425 124 L N 2.287 123.495 121.223 -0.025 0.000 2.137 124 L HA -0.188 4.152 4.340 -0.000 0.000 0.213 124 L C 1.775 178.634 176.870 -0.018 0.000 1.085 124 L CA 1.708 56.535 54.840 -0.021 0.000 0.760 124 L CB -0.434 41.611 42.059 -0.023 0.000 0.893 124 L HN 0.053 nan 8.230 nan 0.000 0.434 125 K N -0.492 119.896 120.400 -0.020 0.000 2.001 125 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 125 K C 2.005 178.596 176.600 -0.015 0.000 1.048 125 K CA 1.741 58.018 56.287 -0.017 0.000 0.932 125 K CB -0.235 32.254 32.500 -0.019 0.000 0.715 125 K HN 0.418 nan 8.250 nan 0.000 0.437 126 E N 0.652 120.842 120.200 -0.016 0.000 2.187 126 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 126 E C 1.850 178.443 176.600 -0.012 0.000 1.004 126 E CA 1.259 57.651 56.400 -0.013 0.000 0.813 126 E CB 0.044 29.735 29.700 -0.014 0.000 0.736 126 E HN 0.051 nan 8.360 nan 0.000 0.468 127 K N 0.213 120.605 120.400 -0.013 0.000 2.288 127 K HA -0.059 4.261 4.320 -0.000 0.000 0.201 127 K C 1.676 178.270 176.600 -0.010 0.000 1.048 127 K CA 0.424 56.704 56.287 -0.011 0.000 0.956 127 K CB 0.197 32.690 32.500 -0.012 0.000 0.746 127 K HN -0.060 nan 8.250 nan 0.000 0.461 128 V N 0.243 120.151 119.914 -0.011 0.000 2.591 128 V HA -0.082 4.038 4.120 -0.000 0.000 0.249 128 V C 2.115 178.204 176.094 -0.008 0.000 1.053 128 V CA 1.553 63.847 62.300 -0.009 0.000 1.068 128 V CB -0.259 31.558 31.823 -0.010 0.000 0.689 128 V HN 0.407 nan 8.190 nan 0.000 0.462 129 A N -0.438 122.377 122.820 -0.009 0.000 1.855 129 A HA -0.251 4.069 4.320 -0.000 0.000 0.215 129 A C 2.136 179.715 177.584 -0.007 0.000 1.191 129 A CA 1.673 53.706 52.037 -0.008 0.000 0.613 129 A CB -0.553 18.442 19.000 -0.008 0.000 0.829 129 A HN 0.561 nan 8.150 nan 0.000 0.442 130 Q N -1.005 118.790 119.800 -0.008 0.000 2.197 130 Q HA -0.268 4.072 4.340 -0.000 0.000 0.211 130 Q C 2.050 178.046 176.000 -0.007 0.000 0.993 130 Q CA 1.754 57.553 55.803 -0.007 0.000 0.883 130 Q CB -0.508 28.225 28.738 -0.008 0.000 0.916 130 Q HN 0.622 nan 8.270 nan 0.000 0.418 131 L N 0.722 121.941 121.223 -0.007 0.000 2.023 131 L HA -0.153 4.186 4.340 -0.000 0.000 0.205 131 L C 2.306 179.172 176.870 -0.006 0.000 1.073 131 L CA 2.011 56.847 54.840 -0.007 0.000 0.745 131 L CB -0.533 41.522 42.059 -0.007 0.000 0.900 131 L HN 0.174 nan 8.230 nan 0.000 0.435 132 E N -0.233 119.963 120.200 -0.006 0.000 2.086 132 E HA -0.321 4.029 4.350 -0.000 0.000 0.200 132 E C 2.030 178.626 176.600 -0.006 0.000 1.012 132 E CA 1.561 57.957 56.400 -0.006 0.000 0.812 132 E CB -0.292 29.405 29.700 -0.006 0.000 0.743 132 E HN 0.628 nan 8.360 nan 0.000 0.453 133 A N 0.513 123.330 122.820 -0.006 0.000 2.024 133 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 133 A C 1.899 179.479 177.584 -0.006 0.000 1.164 133 A CA 1.534 53.568 52.037 -0.006 0.000 0.643 133 A CB -0.323 18.673 19.000 -0.006 0.000 0.806 133 A HN 0.394 nan 8.150 nan 0.000 0.451 134 Q N -1.804 117.992 119.800 -0.006 0.000 2.360 134 Q HA 0.092 4.432 4.340 -0.000 0.000 0.202 134 Q C -0.175 175.821 176.000 -0.006 0.000 0.915 134 Q CA 0.030 55.830 55.803 -0.006 0.000 0.943 134 Q CB 0.158 28.892 28.738 -0.006 0.000 1.064 134 Q HN 0.626 nan 8.270 nan 0.000 0.511 135 C N 1.340 120.637 119.300 -0.006 0.000 2.975 135 C HA 0.293 4.753 4.460 -0.000 0.000 0.234 135 C C 1.101 176.088 174.990 -0.006 0.000 1.666 135 C CA -0.571 58.443 59.018 -0.006 0.000 1.534 135 C CB -0.103 27.633 27.740 -0.006 0.000 2.642 135 C HN 0.390 nan 8.230 nan 0.000 0.516 136 Q N 0.288 120.084 119.800 -0.006 0.000 2.511 136 Q HA 0.138 4.478 4.340 -0.000 0.000 0.236 136 Q C 0.502 176.499 176.000 -0.006 0.000 0.893 136 Q CA 0.666 56.466 55.803 -0.005 0.000 0.947 136 Q CB 0.183 28.918 28.738 -0.005 0.000 1.110 136 Q HN 0.589 nan 8.270 nan 0.000 0.591 137 E N 3.255 123.451 120.200 -0.006 0.000 2.360 137 E HA 0.192 4.542 4.350 -0.000 0.000 0.269 137 E C -1.785 174.811 176.600 -0.007 0.000 1.022 137 E CA -1.367 55.029 56.400 -0.007 0.000 0.887 137 E CB 0.025 29.720 29.700 -0.008 0.000 0.990 137 E HN 0.166 nan 8.360 nan 0.000 0.426 138 P HA 0.151 nan 4.420 nan 0.000 0.276 138 P C -0.314 176.980 177.300 -0.009 0.000 1.244 138 P CA -0.521 62.574 63.100 -0.007 0.000 0.801 138 P CB 0.611 32.307 31.700 -0.007 0.000 1.006 139 C N 1.630 120.924 119.300 -0.010 0.000 2.465 139 C HA -0.000 4.460 4.460 -0.000 0.000 0.402 139 C C 1.210 176.192 174.990 -0.013 0.000 1.448 139 C CA -0.083 58.928 59.018 -0.011 0.000 1.589 139 C CB -1.685 26.048 27.740 -0.012 0.000 2.535 139 C HN 0.504 nan 8.230 nan 0.000 0.600 140 K N 2.996 123.387 120.400 -0.014 0.000 2.419 140 K HA 0.055 4.375 4.320 -0.000 0.000 0.282 140 K C -0.033 176.555 176.600 -0.019 0.000 1.056 140 K CA 0.564 56.841 56.287 -0.016 0.000 1.035 140 K CB 0.045 32.535 32.500 -0.017 0.000 0.921 140 K HN 0.662 nan 8.250 nan 0.000 0.472 141 D N 3.003 123.390 120.400 -0.021 0.000 2.256 141 D HA 0.129 4.769 4.640 -0.000 0.000 0.250 141 D C 0.201 176.484 176.300 -0.029 0.000 1.093 141 D CA -0.142 53.844 54.000 -0.024 0.000 0.882 141 D CB 1.400 42.187 40.800 -0.021 0.000 1.185 141 D HN 0.638 nan 8.370 nan 0.000 0.437 142 T N 1.960 116.495 114.554 -0.031 0.000 2.698 142 T HA -0.048 4.302 4.350 -0.000 0.000 0.260 142 T C 0.937 175.612 174.700 -0.042 0.000 1.044 142 T CA 0.968 63.048 62.100 -0.034 0.000 1.149 142 T CB -0.268 68.581 68.868 -0.031 0.000 0.864 142 T HN 0.495 nan 8.240 nan 0.000 0.419 143 V N 1.718 121.608 119.914 -0.041 0.000 2.557 143 V HA 0.288 4.408 4.120 -0.000 0.000 0.301 143 V C -0.591 175.469 176.094 -0.056 0.000 1.026 143 V CA -0.365 61.907 62.300 -0.047 0.000 1.137 143 V CB -0.244 31.554 31.823 -0.041 0.000 0.917 143 V HN 0.397 nan 8.190 nan 0.000 0.484 144 Q N 4.514 124.263 119.800 -0.085 0.000 2.495 144 Q HA 0.734 5.074 4.340 -0.000 0.000 0.287 144 Q C -1.239 174.665 176.000 -0.160 0.000 1.078 144 Q CA -0.941 54.795 55.803 -0.111 0.000 0.793 144 Q CB 3.139 31.792 28.738 -0.142 0.000 1.459 144 Q HN 0.807 nan 8.270 nan 0.000 0.422 145 I N 0.700 121.183 120.570 -0.145 0.000 2.509 145 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 145 I C -0.661 175.347 176.117 -0.182 0.000 1.020 145 I CA -0.890 60.321 61.300 -0.149 0.000 1.088 145 I CB 1.506 39.498 38.000 -0.013 0.000 1.267 145 I HN 0.540 nan 8.210 nan 0.000 0.430 146 H N 3.100 122.007 119.070 -0.271 0.000 2.679 146 H HA 0.093 4.649 4.556 -0.000 0.000 0.369 146 H C 0.042 175.364 175.328 -0.009 0.000 1.178 146 H CA 0.030 55.948 56.048 -0.216 0.000 1.419 146 H CB 0.730 30.193 29.762 -0.498 0.000 1.458 146 H HN 0.493 nan 8.280 nan 0.000 0.605 147 D N 0.697 121.189 120.400 0.154 0.000 2.249 147 D HA 0.015 4.655 4.640 -0.000 0.000 0.205 147 D C 0.216 176.621 176.300 0.174 0.000 0.962 147 D CA 0.381 54.466 54.000 0.141 0.000 0.860 147 D CB 0.125 40.972 40.800 0.078 0.000 0.955 147 D HN 0.284 nan 8.370 nan 0.000 0.505 148 I N 0.797 121.499 120.570 0.220 0.000 2.668 148 I HA 0.023 4.193 4.170 -0.000 0.000 0.285 148 I C 0.928 177.197 176.117 0.253 0.000 1.168 148 I CA 0.705 62.128 61.300 0.205 0.000 1.424 148 I CB 0.801 38.924 38.000 0.205 0.000 1.377 148 I HN -0.254 nan 8.210 nan 0.000 0.560 149 T N 3.469 118.109 114.554 0.142 0.000 2.888 149 T HA 0.939 5.289 4.350 -0.000 0.000 0.288 149 T C -0.256 174.461 174.700 0.028 0.000 1.063 149 T CA -0.035 62.136 62.100 0.117 0.000 1.010 149 T CB 1.574 70.504 68.868 0.104 0.000 1.214 149 T HN 0.831 nan 8.240 nan 0.000 0.533 150 G N 1.100 109.896 108.800 -0.006 0.000 2.348 150 G HA2 0.359 4.319 3.960 -0.000 0.000 0.296 150 G HA3 0.359 4.319 3.960 -0.000 0.000 0.296 150 G C -0.387 174.480 174.900 -0.055 0.000 1.258 150 G CA -0.315 44.763 45.100 -0.036 0.000 0.868 150 G HN 0.609 nan 8.290 nan 0.000 0.488 151 K N -0.167 120.207 120.400 -0.044 0.000 2.097 151 K HA 0.208 4.528 4.320 -0.000 0.000 0.205 151 K C 0.681 177.258 176.600 -0.038 0.000 1.050 151 K CA 2.167 58.435 56.287 -0.030 0.000 0.938 151 K CB -0.081 32.420 32.500 0.001 0.000 0.718 151 K HN 0.798 nan 8.250 nan 0.000 0.442 152 D N -4.810 115.565 120.400 -0.042 0.000 2.992 152 D HA 0.078 4.718 4.640 -0.000 0.000 0.349 152 D C 0.285 176.531 176.300 -0.089 0.000 1.393 152 D CA -0.582 53.395 54.000 -0.038 0.000 0.887 152 D CB -0.032 40.809 40.800 0.069 0.000 1.447 152 D HN -0.163 nan 8.370 nan 0.000 0.524 153 c N -0.949 117.598 118.600 -0.088 0.000 2.435 153 c HA -0.030 4.540 4.570 -0.000 0.000 0.279 153 c C 2.376 176.355 174.090 -0.185 0.000 1.321 153 c CA 1.202 57.420 56.329 -0.185 0.000 1.752 153 c CB -1.033 41.387 42.510 -0.150 0.000 1.959 153 c HN 0.601 nan 8.230 nan 0.000 0.500 154 Q N 1.578 121.304 119.800 -0.124 0.000 2.016 154 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 154 Q C 1.810 177.732 176.000 -0.129 0.000 0.978 154 Q CA 1.966 57.681 55.803 -0.146 0.000 0.833 154 Q CB -0.601 28.047 28.738 -0.150 0.000 0.895 154 Q HN 0.561 nan 8.270 nan 0.000 0.427 155 D N -0.378 119.964 120.400 -0.097 0.000 2.133 155 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 155 D C 1.782 178.020 176.300 -0.103 0.000 0.997 155 D CA 1.402 55.352 54.000 -0.082 0.000 0.840 155 D CB -0.210 40.556 40.800 -0.056 0.000 0.947 155 D HN 0.402 nan 8.370 nan 0.000 0.452 156 I N 0.442 120.923 120.570 -0.148 0.000 2.113 156 I HA -0.279 3.891 4.170 -0.000 0.000 0.238 156 I C 2.556 178.563 176.117 -0.182 0.000 1.070 156 I CA 1.213 62.398 61.300 -0.191 0.000 1.332 156 I CB -0.373 37.405 38.000 -0.371 0.000 1.044 156 I HN 0.004 nan 8.210 nan 0.000 0.402 157 A N 0.805 123.499 122.820 -0.210 0.000 1.948 157 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 157 A C 1.867 179.385 177.584 -0.110 0.000 1.177 157 A CA 2.021 53.960 52.037 -0.163 0.000 0.636 157 A CB -0.724 18.180 19.000 -0.161 0.000 0.815 157 A HN 0.471 nan 8.150 nan 0.000 0.449 158 N N -0.880 117.758 118.700 -0.104 0.000 2.521 158 N HA -0.024 4.716 4.740 -0.000 0.000 0.188 158 N C 1.129 176.602 175.510 -0.061 0.000 1.146 158 N CA 0.775 53.777 53.050 -0.080 0.000 0.893 158 N CB 0.040 38.478 38.487 -0.081 0.000 0.975 158 N HN 0.639 nan 8.380 nan 0.000 0.451 159 K N -0.630 119.733 120.400 -0.062 0.000 2.358 159 K HA 0.161 4.481 4.320 -0.000 0.000 0.200 159 K C 0.670 177.256 176.600 -0.024 0.000 1.030 159 K CA 0.278 56.542 56.287 -0.038 0.000 1.097 159 K CB 0.504 32.984 32.500 -0.035 0.000 0.862 159 K HN 0.141 nan 8.250 nan 0.000 0.534 160 G N 0.228 109.010 108.800 -0.031 0.000 2.380 160 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.197 160 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.197 160 G C 0.217 175.114 174.900 -0.006 0.000 1.001 160 G CA -0.170 44.923 45.100 -0.012 0.000 0.668 160 G HN 0.426 nan 8.290 nan 0.000 0.483 161 A N 0.145 122.953 122.820 -0.019 0.000 2.577 161 A HA 0.504 4.824 4.320 -0.000 0.000 0.233 161 A C 1.321 178.893 177.584 -0.020 0.000 1.076 161 A CA 1.703 53.736 52.037 -0.008 0.000 0.767 161 A CB 0.254 19.178 19.000 -0.126 0.000 1.017 161 A HN 0.418 nan 8.150 nan 0.000 0.511 162 K N -0.720 119.684 120.400 0.007 0.000 2.645 162 K HA 0.097 4.417 4.320 -0.000 0.000 0.203 162 K C -0.209 176.403 176.600 0.020 0.000 1.653 162 K CA 0.329 56.620 56.287 0.007 0.000 1.138 162 K CB 0.433 32.946 32.500 0.021 0.000 1.515 162 K HN 0.830 nan 8.250 nan 0.000 0.592 163 Q N 1.707 121.533 119.800 0.043 0.000 2.307 163 Q HA 0.364 4.704 4.340 -0.000 0.000 0.262 163 Q C -0.775 175.268 176.000 0.070 0.000 0.961 163 Q CA -0.397 55.446 55.803 0.066 0.000 0.882 163 Q CB 1.963 30.773 28.738 0.118 0.000 1.264 163 Q HN -0.060 nan 8.270 nan 0.000 0.446 164 S N 1.304 117.045 115.700 0.068 0.000 2.563 164 S HA 0.368 4.838 4.470 -0.000 0.000 0.294 164 S C 0.339 175.041 174.600 0.170 0.000 1.279 164 S CA 0.262 58.495 58.200 0.056 0.000 1.069 164 S CB 0.396 63.645 63.200 0.082 0.000 0.828 164 S HN 0.835 nan 8.310 nan 0.000 0.497 165 G N 1.382 110.298 108.800 0.193 0.000 2.428 165 G HA2 0.428 4.388 3.960 -0.000 0.000 0.305 165 G HA3 0.428 4.388 3.960 -0.000 0.000 0.305 165 G C -1.925 173.147 174.900 0.287 0.000 1.260 165 G CA -1.048 44.229 45.100 0.296 0.000 0.853 165 G HN 0.590 nan 8.290 nan 0.000 0.480 166 L N 0.928 122.225 121.223 0.123 0.000 2.287 166 L HA 0.680 5.020 4.340 -0.000 0.000 0.287 166 L C -0.971 175.799 176.870 -0.168 0.000 1.022 166 L CA -0.687 54.184 54.840 0.052 0.000 0.814 166 L CB 1.080 43.123 42.059 -0.027 0.000 1.217 166 L HN 0.510 nan 8.230 nan 0.000 0.420 167 Y N 1.660 121.891 120.300 -0.115 0.000 2.698 167 Y HA 0.586 5.136 4.550 -0.000 0.000 0.332 167 Y C -0.537 175.180 175.900 -0.305 0.000 1.119 167 Y CA -1.286 56.746 58.100 -0.114 0.000 1.109 167 Y CB 1.261 39.691 38.460 -0.049 0.000 1.308 167 Y HN 0.177 nan 8.280 nan 0.000 0.499 168 F N 2.069 122.096 119.950 0.128 0.000 2.443 168 F HA 0.675 5.202 4.527 -0.000 0.000 0.335 168 F C 0.005 175.734 175.800 -0.118 0.000 1.104 168 F CA -0.958 57.027 58.000 -0.025 0.000 1.013 168 F CB 1.351 40.337 39.000 -0.024 0.000 1.136 168 F HN 0.243 nan 8.300 nan 0.000 0.470 169 I N -0.081 120.379 120.570 -0.183 0.000 2.785 169 I HA 0.645 4.815 4.170 -0.000 0.000 0.302 169 I C -1.234 174.611 176.117 -0.454 0.000 1.069 169 I CA -0.994 60.134 61.300 -0.287 0.000 1.045 169 I CB 2.474 40.276 38.000 -0.331 0.000 1.236 169 I HN 0.545 nan 8.210 nan 0.000 0.429 170 K N 5.001 125.254 120.400 -0.246 0.000 2.723 170 K HA 0.508 4.828 4.320 -0.000 0.000 0.229 170 K C -2.791 173.773 176.600 -0.061 0.000 1.022 170 K CA -1.510 54.681 56.287 -0.161 0.000 1.045 170 K CB 1.587 34.047 32.500 -0.067 0.000 1.227 170 K HN 0.384 nan 8.250 nan 0.000 0.516 171 P HA -0.088 nan 4.420 nan 0.000 0.265 171 P C 0.683 178.004 177.300 0.034 0.000 1.187 171 P CA -0.282 62.834 63.100 0.028 0.000 0.766 171 P CB 0.591 32.335 31.700 0.072 0.000 0.820 172 L N 3.653 124.891 121.223 0.026 0.000 2.270 172 L HA -0.177 4.163 4.340 -0.000 0.000 0.217 172 L C 1.340 178.229 176.870 0.032 0.000 1.107 172 L CA 1.981 56.835 54.840 0.024 0.000 0.772 172 L CB -0.653 41.418 42.059 0.021 0.000 0.902 172 L HN 0.302 nan 8.230 nan 0.000 0.439 173 K N -0.791 119.632 120.400 0.038 0.000 2.498 173 K HA 0.378 4.698 4.320 -0.000 0.000 0.207 173 K C 0.036 176.679 176.600 0.070 0.000 1.033 173 K CA 0.124 56.437 56.287 0.044 0.000 1.138 173 K CB 0.255 32.772 32.500 0.027 0.000 0.860 173 K HN 0.329 nan 8.250 nan 0.000 0.490 174 A N 0.482 123.358 122.820 0.092 0.000 2.295 174 A HA 0.291 4.611 4.320 -0.000 0.000 0.318 174 A C 0.400 178.052 177.584 0.113 0.000 1.134 174 A CA -0.713 51.406 52.037 0.137 0.000 0.827 174 A CB 0.561 19.702 19.000 0.235 0.000 1.136 174 A HN 0.218 nan 8.150 nan 0.000 0.493 175 N N 0.062 118.832 118.700 0.116 0.000 2.135 175 N HA -0.062 4.678 4.740 -0.000 0.000 0.186 175 N C 0.506 176.072 175.510 0.094 0.000 1.027 175 N CA 1.158 54.263 53.050 0.091 0.000 0.849 175 N CB -0.021 38.515 38.487 0.082 0.000 1.002 175 N HN 0.804 nan 8.380 nan 0.000 0.425 176 Q N 0.724 120.605 119.800 0.134 0.000 2.359 176 Q HA 0.151 4.491 4.340 -0.000 0.000 0.274 176 Q C -1.019 175.107 176.000 0.209 0.000 1.074 176 Q CA -0.767 55.116 55.803 0.133 0.000 0.810 176 Q CB 1.951 30.762 28.738 0.120 0.000 1.342 176 Q HN 0.190 nan 8.270 nan 0.000 0.427 177 Q N 1.735 121.613 119.800 0.130 0.000 2.584 177 Q HA 0.339 4.679 4.340 -0.000 0.000 0.235 177 Q C -0.879 175.279 176.000 0.263 0.000 1.079 177 Q CA -0.040 55.816 55.803 0.087 0.000 0.977 177 Q CB 0.270 29.019 28.738 0.020 0.000 1.293 177 Q HN 0.450 nan 8.270 nan 0.000 0.553 178 F N -2.307 117.768 119.950 0.208 0.000 2.678 178 F HA 0.505 5.032 4.527 -0.000 0.000 0.308 178 F C -1.801 174.078 175.800 0.132 0.000 1.118 178 F CA -1.724 56.391 58.000 0.191 0.000 0.959 178 F CB 0.679 39.728 39.000 0.081 0.000 1.305 178 F HN 0.522 nan 8.300 nan 0.000 0.443 179 L N 3.732 125.083 121.223 0.213 0.000 2.380 179 L HA 0.722 5.061 4.340 -0.000 0.000 0.273 179 L C -0.309 176.575 176.870 0.023 0.000 1.138 179 L CA -0.111 54.636 54.840 -0.156 0.000 0.832 179 L CB 1.090 42.967 42.059 -0.304 0.000 1.124 179 L HN 0.849 nan 8.230 nan 0.000 0.454 180 V N 2.369 122.255 119.914 -0.047 0.000 3.182 180 V HA 0.500 4.620 4.120 -0.000 0.000 0.308 180 V C -1.545 174.589 176.094 0.067 0.000 1.240 180 V CA -0.994 61.327 62.300 0.034 0.000 1.063 180 V CB 1.587 33.471 31.823 0.102 0.000 1.076 180 V HN 0.651 nan 8.190 nan 0.000 0.446 181 Y N 1.496 121.782 120.300 -0.022 0.000 2.491 181 Y HA 0.676 5.226 4.550 -0.000 0.000 0.334 181 Y C -0.096 175.876 175.900 0.121 0.000 0.969 181 Y CA -1.273 56.858 58.100 0.052 0.000 1.241 181 Y CB 0.379 38.876 38.460 0.062 0.000 1.105 181 Y HN 0.903 nan 8.280 nan 0.000 0.503 182 c N 6.149 124.568 118.600 -0.302 0.000 2.482 182 c HA 0.192 4.762 4.570 -0.000 0.000 0.378 182 c C 0.366 174.098 174.090 -0.598 0.000 1.284 182 c CA -0.525 55.577 56.329 -0.378 0.000 1.826 182 c CB -0.581 41.671 42.510 -0.431 0.000 2.473 182 c HN 0.704 nan 8.230 nan 0.000 0.562 183 E N 4.623 124.554 120.200 -0.447 0.000 2.035 183 E HA 0.388 4.737 4.350 -0.000 0.000 0.271 183 E C -0.779 175.790 176.600 -0.052 0.000 0.953 183 E CA -0.034 56.186 56.400 -0.301 0.000 0.777 183 E CB 0.424 30.016 29.700 -0.181 0.000 1.104 183 E HN 0.652 nan 8.360 nan 0.000 0.408 184 I N 3.669 124.205 120.570 -0.057 0.000 2.437 184 I HA 0.197 4.367 4.170 -0.000 0.000 0.298 184 I C 0.403 176.538 176.117 0.030 0.000 0.984 184 I CA -0.858 60.440 61.300 -0.005 0.000 1.214 184 I CB 1.333 39.298 38.000 -0.058 0.000 1.365 184 I HN 0.456 nan 8.210 nan 0.000 0.469 185 D N 3.392 123.825 120.400 0.055 0.000 2.506 185 D HA 0.271 4.911 4.640 -0.000 0.000 0.254 185 D C 0.439 176.751 176.300 0.021 0.000 1.089 185 D CA -0.821 53.206 54.000 0.046 0.000 1.050 185 D CB 1.171 42.022 40.800 0.084 0.000 1.221 185 D HN 0.567 nan 8.370 nan 0.000 0.589 186 G N -1.436 107.374 108.800 0.016 0.000 3.541 186 G HA2 0.381 4.341 3.960 -0.000 0.000 0.253 186 G HA3 0.381 4.341 3.960 -0.000 0.000 0.253 186 G C 0.170 175.071 174.900 0.001 0.000 1.017 186 G CA 0.018 45.122 45.100 0.006 0.000 1.832 186 G HN 0.642 nan 8.290 nan 0.000 0.649 187 S N -2.147 113.550 115.700 -0.004 0.000 2.849 187 S HA 0.325 4.795 4.470 -0.000 0.000 0.226 187 S C 1.293 175.874 174.600 -0.032 0.000 0.809 187 S CA 0.526 58.717 58.200 -0.015 0.000 1.324 187 S CB -0.277 62.918 63.200 -0.009 0.000 1.275 187 S HN 1.684 nan 8.310 nan 0.000 0.585 188 G N 2.010 110.788 108.800 -0.036 0.000 2.179 188 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.260 188 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.260 188 G C -0.224 174.624 174.900 -0.088 0.000 0.977 188 G CA 0.104 45.168 45.100 -0.060 0.000 0.641 188 G HN 0.681 nan 8.290 nan 0.000 0.533 189 N N 1.020 119.675 118.700 -0.075 0.000 2.442 189 N HA 0.446 5.186 4.740 -0.000 0.000 0.265 189 N C 0.653 176.085 175.510 -0.131 0.000 1.138 189 N CA 0.408 53.372 53.050 -0.142 0.000 0.956 189 N CB 0.791 39.218 38.487 -0.099 0.000 1.067 189 N HN 0.342 nan 8.380 nan 0.000 0.474 190 G N 2.822 111.489 108.800 -0.220 0.000 3.161 190 G HA2 0.157 4.117 3.960 -0.000 0.000 0.328 190 G HA3 0.157 4.117 3.960 -0.000 0.000 0.328 190 G C -0.745 174.061 174.900 -0.157 0.000 1.037 190 G CA -0.580 44.417 45.100 -0.172 0.000 1.416 190 G HN 0.548 nan 8.290 nan 0.000 0.486 191 W N 1.193 122.427 121.300 -0.110 0.000 2.216 191 W HA 0.438 5.098 4.660 -0.000 0.000 0.326 191 W C 0.915 177.377 176.519 -0.094 0.000 1.319 191 W CA -0.130 57.169 57.345 -0.077 0.000 1.213 191 W CB 1.468 30.876 29.460 -0.086 0.000 1.171 191 W HN 0.313 nan 8.180 nan 0.000 0.557 192 T N 2.179 116.872 114.554 0.231 0.000 2.864 192 T HA 0.493 4.843 4.350 -0.000 0.000 0.310 192 T C -0.680 174.146 174.700 0.210 0.000 1.040 192 T CA -0.772 61.416 62.100 0.147 0.000 0.977 192 T CB 0.022 68.957 68.868 0.113 0.000 0.976 192 T HN 0.172 nan 8.240 nan 0.000 0.459 193 V N 6.297 126.331 119.914 0.199 0.000 2.811 193 V HA 0.324 4.444 4.120 -0.000 0.000 0.302 193 V C 0.948 177.214 176.094 0.287 0.000 1.063 193 V CA -0.099 62.310 62.300 0.182 0.000 1.088 193 V CB 0.018 32.029 31.823 0.314 0.000 0.982 193 V HN 0.975 nan 8.190 nan 0.000 0.485 194 F N -0.213 119.784 119.950 0.078 0.000 2.871 194 F HA 0.495 5.022 4.527 -0.000 0.000 0.344 194 F C 0.179 175.817 175.800 -0.271 0.000 1.078 194 F CA -0.238 57.742 58.000 -0.034 0.000 1.149 194 F CB 0.322 39.200 39.000 -0.203 0.000 1.087 194 F HN 0.455 nan 8.300 nan 0.000 0.557 195 Q N 1.998 121.424 119.800 -0.623 0.000 2.340 195 Q HA 0.537 4.877 4.340 -0.000 0.000 0.276 195 Q C -2.027 173.573 176.000 -0.667 0.000 1.048 195 Q CA -0.417 55.079 55.803 -0.512 0.000 0.832 195 Q CB 2.937 31.554 28.738 -0.201 0.000 1.373 195 Q HN 0.298 nan 8.270 nan 0.000 0.409 196 K N 1.845 121.876 120.400 -0.615 0.000 2.557 196 K HA 0.586 4.906 4.320 -0.000 0.000 0.261 196 K C -1.775 174.682 176.600 -0.238 0.000 0.932 196 K CA -0.378 55.603 56.287 -0.509 0.000 0.829 196 K CB 1.380 33.418 32.500 -0.771 0.000 1.358 196 K HN 0.546 nan 8.250 nan 0.000 0.430 197 R N 3.891 124.282 120.500 -0.182 0.000 2.535 197 R HA 0.429 4.769 4.340 -0.000 0.000 0.274 197 R C -0.721 175.546 176.300 -0.055 0.000 1.090 197 R CA -0.660 55.385 56.100 -0.092 0.000 0.930 197 R CB 1.290 31.544 30.300 -0.077 0.000 1.223 197 R HN 0.599 nan 8.270 nan 0.000 0.441 198 L N -1.252 119.921 121.223 -0.083 0.000 4.183 198 L HA 0.363 4.703 4.340 -0.000 0.000 0.406 198 L C 0.174 176.973 176.870 -0.118 0.000 1.119 198 L CA 0.162 54.964 54.840 -0.065 0.000 1.467 198 L CB 0.043 42.042 42.059 -0.100 0.000 1.684 198 L HN 0.579 nan 8.230 nan 0.000 0.633 199 D N -1.113 118.999 120.400 -0.479 0.000 2.619 199 D HA 0.286 4.926 4.640 -0.000 0.000 0.300 199 D C 1.290 177.105 176.300 -0.808 0.000 1.502 199 D CA 0.399 54.116 54.000 -0.471 0.000 0.865 199 D CB -0.235 40.467 40.800 -0.163 0.000 1.343 199 D HN 0.378 nan 8.370 nan 0.000 0.447 200 G N 0.884 108.787 108.800 -1.496 0.000 2.166 200 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.260 200 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.260 200 G C 1.299 176.057 174.900 -0.238 0.000 0.986 200 G CA 1.294 45.934 45.100 -0.767 0.000 0.683 200 G HN 0.968 nan 8.290 nan 0.000 0.527 201 S N -1.808 113.779 115.700 -0.188 0.000 2.399 201 S HA 0.236 4.706 4.470 -0.000 0.000 0.231 201 S C 1.037 175.648 174.600 0.020 0.000 1.022 201 S CA 1.232 59.399 58.200 -0.055 0.000 0.983 201 S CB 0.254 63.433 63.200 -0.035 0.000 0.803 201 S HN 0.931 nan 8.310 nan 0.000 0.480 202 V N 2.356 122.314 119.914 0.074 0.000 2.547 202 V HA 0.421 4.541 4.120 -0.000 0.000 0.299 202 V C -0.501 175.679 176.094 0.143 0.000 1.040 202 V CA -0.940 61.425 62.300 0.109 0.000 0.913 202 V CB 1.615 33.509 31.823 0.118 0.000 0.992 202 V HN 0.236 nan 8.190 nan 0.000 0.449 203 D N 2.255 122.673 120.400 0.029 0.000 2.316 203 D HA 0.248 4.888 4.640 -0.000 0.000 0.245 203 D C 0.182 176.436 176.300 -0.077 0.000 1.171 203 D CA 0.000 54.008 54.000 0.012 0.000 0.856 203 D CB 0.732 41.493 40.800 -0.066 0.000 1.090 203 D HN 0.407 nan 8.370 nan 0.000 0.476 204 F N 2.061 122.037 119.950 0.044 0.000 2.732 204 F HA 0.121 4.648 4.527 -0.000 0.000 0.303 204 F C 1.655 177.472 175.800 0.028 0.000 1.110 204 F CA -0.072 57.993 58.000 0.108 0.000 1.355 204 F CB 0.292 39.454 39.000 0.270 0.000 1.081 204 F HN 0.169 nan 8.300 nan 0.000 0.565 205 K N 1.933 122.372 120.400 0.065 0.000 2.307 205 K HA 0.084 4.404 4.320 -0.000 0.000 0.240 205 K C -0.180 176.423 176.600 0.005 0.000 1.214 205 K CA -0.043 56.303 56.287 0.099 0.000 1.149 205 K CB -0.156 32.367 32.500 0.039 0.000 1.668 205 K HN -0.120 nan 8.250 nan 0.000 0.314 206 K N 1.184 121.573 120.400 -0.018 0.000 2.303 206 K HA 0.277 4.597 4.320 -0.000 0.000 0.233 206 K C -0.025 176.744 176.600 0.281 0.000 1.046 206 K CA -0.851 55.350 56.287 -0.145 0.000 0.895 206 K CB 0.864 32.784 32.500 -0.967 0.000 1.220 206 K HN 0.534 nan 8.250 nan 0.000 0.470 207 N N -1.588 117.230 118.700 0.197 0.000 2.502 207 N HA 0.113 4.853 4.740 -0.000 0.000 0.280 207 N C 0.954 176.577 175.510 0.188 0.000 1.223 207 N CA -0.772 52.382 53.050 0.173 0.000 0.966 207 N CB 0.269 38.843 38.487 0.145 0.000 1.203 207 N HN 0.632 nan 8.380 nan 0.000 0.565 208 W N 0.559 121.846 121.300 -0.022 0.000 2.290 208 W HA -0.257 4.403 4.660 -0.000 0.000 0.323 208 W C 1.223 177.816 176.519 0.123 0.000 1.260 208 W CA 1.637 59.020 57.345 0.065 0.000 1.266 208 W CB -0.263 29.184 29.460 -0.022 0.000 1.149 208 W HN 0.522 nan 8.180 nan 0.000 0.482 209 I N 0.437 121.090 120.570 0.139 0.000 2.286 209 I HA -0.360 3.809 4.170 -0.000 0.000 0.248 209 I C 2.598 178.718 176.117 0.006 0.000 1.115 209 I CA 1.502 62.843 61.300 0.068 0.000 1.392 209 I CB -0.668 37.397 38.000 0.110 0.000 1.065 209 I HN 0.116 nan 8.210 nan 0.000 0.418 210 Q N -0.201 119.608 119.800 0.015 0.000 2.046 210 Q HA -0.202 4.138 4.340 -0.000 0.000 0.200 210 Q C 2.105 178.149 176.000 0.073 0.000 0.975 210 Q CA 1.683 57.481 55.803 -0.008 0.000 0.836 210 Q CB -0.205 28.434 28.738 -0.165 0.000 0.896 210 Q HN 0.515 nan 8.270 nan 0.000 0.428 211 Y N 0.874 121.168 120.300 -0.009 0.000 2.509 211 Y HA -0.141 4.409 4.550 -0.000 0.000 0.293 211 Y C 2.343 178.106 175.900 -0.228 0.000 1.133 211 Y CA 0.951 59.014 58.100 -0.061 0.000 1.283 211 Y CB 0.176 38.547 38.460 -0.148 0.000 1.001 211 Y HN 0.034 nan 8.280 nan 0.000 0.555 212 K N 0.237 120.518 120.400 -0.198 0.000 2.005 212 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 212 K C 1.708 178.208 176.600 -0.167 0.000 1.044 212 K CA 1.402 57.494 56.287 -0.325 0.000 0.942 212 K CB 0.074 32.417 32.500 -0.262 0.000 0.727 212 K HN 0.077 nan 8.250 nan 0.000 0.439 213 E N 0.109 120.267 120.200 -0.069 0.000 2.158 213 E HA 0.052 4.402 4.350 -0.000 0.000 0.191 213 E C 0.552 177.127 176.600 -0.041 0.000 0.982 213 E CA 0.966 57.335 56.400 -0.052 0.000 0.823 213 E CB 0.241 29.933 29.700 -0.014 0.000 0.766 213 E HN 0.551 nan 8.360 nan 0.000 0.468 214 G N 0.973 109.804 108.800 0.051 0.000 2.742 214 G HA2 0.052 4.012 3.960 -0.000 0.000 0.686 214 G HA3 0.052 4.012 3.960 -0.000 0.000 0.686 214 G C -0.780 174.176 174.900 0.093 0.000 1.220 214 G CA -0.472 44.669 45.100 0.070 0.000 0.783 214 G HN 0.138 nan 8.290 nan 0.000 0.646 215 F N 0.058 119.974 119.950 -0.056 0.000 2.613 215 F HA 0.965 5.492 4.527 -0.000 0.000 0.310 215 F C 0.638 176.331 175.800 -0.178 0.000 1.085 215 F CA -0.211 57.678 58.000 -0.185 0.000 0.945 215 F CB 1.643 40.462 39.000 -0.302 0.000 1.298 215 F HN 2.397 nan 8.300 nan 0.000 0.455 216 G N 1.275 109.992 108.800 -0.137 0.000 2.396 216 G HA2 0.230 4.190 3.960 -0.000 0.000 0.254 216 G HA3 0.230 4.190 3.960 -0.000 0.000 0.254 216 G C -2.225 172.346 174.900 -0.549 0.000 1.248 216 G CA -0.844 44.110 45.100 -0.243 0.000 1.033 216 G HN 1.223 nan 8.290 nan 0.000 0.502 217 H N -1.127 117.966 119.070 0.038 0.000 2.679 217 H HA 0.660 5.216 4.556 -0.000 0.000 0.360 217 H C -0.186 175.074 175.328 -0.114 0.000 1.105 217 H CA -0.738 55.286 56.048 -0.040 0.000 1.196 217 H CB 1.813 31.566 29.762 -0.016 0.000 1.636 217 H HN 0.466 nan 8.280 nan 0.000 0.531 218 L N 3.011 124.168 121.223 -0.109 0.000 2.264 218 L HA 0.343 4.683 4.340 -0.000 0.000 0.287 218 L C -0.100 176.705 176.870 -0.110 0.000 1.039 218 L CA -0.615 54.081 54.840 -0.241 0.000 0.829 218 L CB 0.663 42.537 42.059 -0.308 0.000 1.211 218 L HN 0.635 nan 8.230 nan 0.000 0.427 219 S N 2.198 117.827 115.700 -0.117 0.000 2.508 219 S HA 0.444 4.914 4.470 -0.000 0.000 0.284 219 S C -2.104 172.440 174.600 -0.094 0.000 1.192 219 S CA -1.468 56.676 58.200 -0.093 0.000 1.070 219 S CB 1.758 64.906 63.200 -0.086 0.000 1.004 219 S HN 0.311 nan 8.310 nan 0.000 0.493 220 P HA 0.035 nan 4.420 nan 0.000 0.236 220 P C 0.686 178.048 177.300 0.104 0.000 1.172 220 P CA 0.831 63.978 63.100 0.079 0.000 0.759 220 P CB -0.126 31.592 31.700 0.031 0.000 0.843 221 T N -6.113 108.439 114.554 -0.003 0.000 3.393 221 T HA 0.401 4.751 4.350 -0.000 0.000 0.298 221 T C 1.082 175.728 174.700 -0.091 0.000 1.004 221 T CA -0.074 62.028 62.100 0.004 0.000 0.956 221 T CB -0.708 68.158 68.868 -0.003 0.000 1.182 221 T HN 0.129 nan 8.240 nan 0.000 0.497 222 G N 2.453 111.053 108.800 -0.334 0.000 2.441 222 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.298 222 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.298 222 G C 0.534 175.324 174.900 -0.183 0.000 0.949 222 G CA 0.740 45.586 45.100 -0.424 0.000 1.072 222 G HN 1.200 nan 8.290 nan 0.000 0.512 223 T N -3.241 111.232 114.554 -0.135 0.000 3.296 223 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 223 T C 0.351 175.018 174.700 -0.055 0.000 1.014 223 T CA 0.529 62.580 62.100 -0.081 0.000 0.920 223 T CB 1.233 70.065 68.868 -0.060 0.000 1.143 223 T HN 0.837 nan 8.240 nan 0.000 0.522 224 T N 0.725 115.258 114.554 -0.034 0.000 2.900 224 T HA 0.445 4.795 4.350 -0.000 0.000 0.295 224 T C -1.373 173.392 174.700 0.107 0.000 1.044 224 T CA -0.586 61.543 62.100 0.048 0.000 0.995 224 T CB 1.929 70.854 68.868 0.095 0.000 1.072 224 T HN 0.298 nan 8.240 nan 0.000 0.473 225 E N 2.463 122.736 120.200 0.121 0.000 2.313 225 E HA 0.631 4.981 4.350 -0.000 0.000 0.272 225 E C -0.722 176.043 176.600 0.274 0.000 1.038 225 E CA -0.484 55.993 56.400 0.129 0.000 0.863 225 E CB 1.151 30.959 29.700 0.180 0.000 1.060 225 E HN 0.566 nan 8.360 nan 0.000 0.402 226 F N -1.008 119.048 119.950 0.177 0.000 2.978 226 F HA 0.494 5.021 4.527 -0.000 0.000 0.324 226 F C -2.220 173.631 175.800 0.085 0.000 1.157 226 F CA -1.282 56.713 58.000 -0.009 0.000 0.879 226 F CB 1.217 40.166 39.000 -0.085 0.000 1.364 226 F HN 0.525 nan 8.300 nan 0.000 0.465 227 W N 4.034 125.294 121.300 -0.066 0.000 2.835 227 W HA 0.350 5.010 4.660 -0.000 0.000 0.326 227 W C -0.310 176.200 176.519 -0.015 0.000 1.024 227 W CA -0.826 56.447 57.345 -0.120 0.000 1.267 227 W CB 1.968 30.985 29.460 -0.738 0.000 1.267 227 W HN 0.871 nan 8.180 nan 0.000 0.412 228 L N 5.055 126.249 121.223 -0.049 0.000 2.137 228 L HA 0.070 4.410 4.340 -0.000 0.000 0.213 228 L C 0.916 177.665 176.870 -0.201 0.000 1.085 228 L CA 2.937 57.716 54.840 -0.101 0.000 0.760 228 L CB -0.665 41.391 42.059 -0.005 0.000 0.893 228 L HN 0.705 nan 8.230 nan 0.000 0.434 229 G N -1.419 107.218 108.800 -0.271 0.000 3.400 229 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.679 229 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.679 229 G C 0.233 174.970 174.900 -0.272 0.000 1.239 229 G CA -0.030 45.014 45.100 -0.093 0.000 1.049 229 G HN 0.331 nan 8.290 nan 0.000 0.539 230 N N 0.288 118.806 118.700 -0.303 0.000 2.060 230 N HA -0.256 4.484 4.740 -0.000 0.000 0.195 230 N C 1.992 177.067 175.510 -0.725 0.000 1.028 230 N CA 1.793 54.384 53.050 -0.765 0.000 0.861 230 N CB 0.011 37.556 38.487 -1.569 0.000 1.029 230 N HN 0.671 nan 8.380 nan 0.000 0.428 231 E N 1.578 121.429 120.200 -0.581 0.000 2.038 231 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 231 E C 1.594 178.129 176.600 -0.108 0.000 1.000 231 E CA 1.548 57.861 56.400 -0.145 0.000 0.803 231 E CB 0.065 29.735 29.700 -0.050 0.000 0.750 231 E HN 0.253 nan 8.360 nan 0.000 0.448 232 K N 0.056 120.280 120.400 -0.294 0.000 2.009 232 K HA -0.146 4.174 4.320 -0.000 0.000 0.210 232 K C 2.352 178.854 176.600 -0.164 0.000 1.049 232 K CA 1.783 57.824 56.287 -0.410 0.000 0.929 232 K CB -0.422 31.615 32.500 -0.772 0.000 0.714 232 K HN 0.207 nan 8.250 nan 0.000 0.440 233 I N 0.661 121.105 120.570 -0.210 0.000 2.151 233 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 233 I C 2.669 178.729 176.117 -0.095 0.000 1.080 233 I CA 1.676 62.856 61.300 -0.201 0.000 1.339 233 I CB -0.495 37.265 38.000 -0.401 0.000 1.039 233 I HN 0.290 nan 8.210 nan 0.000 0.409 234 H N 1.393 120.385 119.070 -0.130 0.000 2.265 234 H HA -0.218 4.338 4.556 -0.000 0.000 0.295 234 H C 1.968 177.280 175.328 -0.027 0.000 1.084 234 H CA 2.064 58.095 56.048 -0.029 0.000 1.261 234 H CB -0.413 29.423 29.762 0.122 0.000 1.360 234 H HN 0.087 nan 8.280 nan 0.000 0.487 235 L N -0.003 121.116 121.223 -0.172 0.000 2.187 235 L HA -0.141 4.199 4.340 -0.000 0.000 0.213 235 L C 2.583 179.371 176.870 -0.135 0.000 1.100 235 L CA 1.346 56.074 54.840 -0.188 0.000 0.765 235 L CB -0.476 41.594 42.059 0.019 0.000 0.904 235 L HN 0.438 nan 8.230 nan 0.000 0.437 236 I N -1.405 119.096 120.570 -0.116 0.000 2.277 236 I HA -0.214 3.956 4.170 -0.000 0.000 0.243 236 I C 2.511 178.321 176.117 -0.511 0.000 1.094 236 I CA 1.299 62.473 61.300 -0.210 0.000 1.393 236 I CB -0.455 37.456 38.000 -0.149 0.000 1.078 236 I HN 0.322 nan 8.210 nan 0.000 0.417 237 S N -0.288 115.163 115.700 -0.415 0.000 2.428 237 S HA -0.107 4.363 4.470 -0.000 0.000 0.230 237 S C 1.506 176.019 174.600 -0.145 0.000 1.014 237 S CA 1.116 59.099 58.200 -0.360 0.000 0.957 237 S CB -0.804 62.321 63.200 -0.125 0.000 0.784 237 S HN 0.538 nan 8.310 nan 0.000 0.499 238 T N -0.601 113.840 114.554 -0.188 0.000 3.327 238 T HA 0.445 4.795 4.350 -0.000 0.000 0.244 238 T C 0.134 174.778 174.700 -0.093 0.000 1.074 238 T CA -0.790 61.236 62.100 -0.124 0.000 1.156 238 T CB 0.236 68.985 68.868 -0.197 0.000 1.087 238 T HN 0.366 nan 8.240 nan 0.000 0.575 239 Q N 0.869 120.667 119.800 -0.003 0.000 2.591 239 Q HA 0.297 4.637 4.340 -0.000 0.000 0.204 239 Q C 0.493 176.516 176.000 0.039 0.000 1.148 239 Q CA -0.386 55.433 55.803 0.027 0.000 0.981 239 Q CB 0.174 28.971 28.738 0.099 0.000 3.255 239 Q HN 0.403 nan 8.270 nan 0.000 0.512 240 S N 0.802 116.531 115.700 0.049 0.000 4.069 240 S HA 0.355 4.824 4.470 -0.000 0.000 0.192 240 S C -0.636 173.989 174.600 0.041 0.000 1.441 240 S CA 0.163 58.386 58.200 0.037 0.000 0.994 240 S CB -0.840 62.377 63.200 0.030 0.000 1.456 240 S HN 0.600 nan 8.310 nan 0.000 0.458 241 A N 2.250 125.098 122.820 0.047 0.000 1.616 241 A HA -0.112 4.208 4.320 -0.000 0.000 0.208 241 A C 0.017 177.629 177.584 0.047 0.000 1.293 241 A CA 0.564 52.628 52.037 0.045 0.000 0.657 241 A CB -1.961 17.057 19.000 0.030 0.000 1.154 241 A HN 1.271 nan 8.150 nan 0.000 0.202 242 I N -0.529 120.079 120.570 0.064 0.000 2.748 242 I HA 0.456 4.626 4.170 -0.000 0.000 0.283 242 I C -3.024 173.125 176.117 0.052 0.000 1.653 242 I CA -1.852 59.466 61.300 0.030 0.000 1.093 242 I CB 1.420 39.410 38.000 -0.017 0.000 1.545 242 I HN 0.252 nan 8.210 nan 0.000 0.429 243 P HA 0.294 nan 4.420 nan 0.000 0.268 243 P C -1.539 175.778 177.300 0.029 0.000 1.205 243 P CA 0.444 63.591 63.100 0.079 0.000 0.771 243 P CB 0.260 32.016 31.700 0.094 0.000 0.858 244 Y N 0.710 121.096 120.300 0.144 0.000 2.509 244 Y HA 0.637 5.187 4.550 -0.000 0.000 0.341 244 Y C 0.251 176.294 175.900 0.237 0.000 1.038 244 Y CA -0.657 57.556 58.100 0.189 0.000 1.089 244 Y CB 1.965 40.559 38.460 0.224 0.000 1.241 244 Y HN 0.377 nan 8.280 nan 0.000 0.468 245 A N 2.740 125.775 122.820 0.358 0.000 2.355 245 A HA 0.747 5.067 4.320 -0.000 0.000 0.324 245 A C -2.058 175.662 177.584 0.227 0.000 1.117 245 A CA -0.684 51.534 52.037 0.302 0.000 0.785 245 A CB 1.268 20.439 19.000 0.286 0.000 1.254 245 A HN 0.672 nan 8.150 nan 0.000 0.453 246 L N 1.611 122.933 121.223 0.165 0.000 2.319 246 L HA 0.691 5.031 4.340 -0.000 0.000 0.281 246 L C -0.091 176.879 176.870 0.166 0.000 1.005 246 L CA -0.286 54.555 54.840 0.001 0.000 0.828 246 L CB 1.223 43.066 42.059 -0.360 0.000 1.227 246 L HN 0.750 nan 8.230 nan 0.000 0.415 247 R N 4.329 124.933 120.500 0.175 0.000 2.338 247 R HA 0.692 5.032 4.340 -0.000 0.000 0.317 247 R C -1.697 174.512 176.300 -0.152 0.000 0.968 247 R CA -0.627 55.495 56.100 0.035 0.000 0.849 247 R CB 1.567 31.826 30.300 -0.068 0.000 1.128 247 R HN 0.571 nan 8.270 nan 0.000 0.448 248 V N 4.580 124.381 119.914 -0.188 0.000 2.350 248 V HA 0.234 4.354 4.120 -0.000 0.000 0.276 248 V C -0.202 175.623 176.094 -0.448 0.000 1.028 248 V CA -0.430 61.656 62.300 -0.356 0.000 0.860 248 V CB 1.297 32.803 31.823 -0.529 0.000 0.990 248 V HN 0.794 nan 8.190 nan 0.000 0.453 249 E N 5.132 125.070 120.200 -0.436 0.000 2.133 249 E HA 0.525 4.875 4.350 -0.000 0.000 0.274 249 E C -1.429 174.909 176.600 -0.436 0.000 0.930 249 E CA -0.647 55.495 56.400 -0.431 0.000 0.770 249 E CB 1.202 30.672 29.700 -0.383 0.000 1.104 249 E HN 0.378 nan 8.360 nan 0.000 0.403 250 L N 2.598 123.518 121.223 -0.504 0.000 2.271 250 L HA 0.614 4.954 4.340 -0.000 0.000 0.265 250 L C -0.269 176.397 176.870 -0.339 0.000 1.013 250 L CA -0.593 53.979 54.840 -0.446 0.000 0.820 250 L CB 1.358 43.066 42.059 -0.587 0.000 1.352 250 L HN 0.720 nan 8.230 nan 0.000 0.443 251 E N 0.446 120.552 120.200 -0.156 0.000 2.451 251 E HA 0.194 4.544 4.350 -0.000 0.000 0.295 251 E C -1.735 174.919 176.600 0.090 0.000 0.966 251 E CA -0.479 55.910 56.400 -0.018 0.000 0.808 251 E CB 1.978 31.612 29.700 -0.110 0.000 1.242 251 E HN 0.737 nan 8.360 nan 0.000 0.412 252 D N 2.152 122.736 120.400 0.306 0.000 2.478 252 D HA 0.088 4.727 4.640 -0.000 0.000 0.269 252 D C 0.039 176.401 176.300 0.104 0.000 1.232 252 D CA -0.470 53.743 54.000 0.355 0.000 1.059 252 D CB 0.357 41.485 40.800 0.547 0.000 1.104 252 D HN 0.501 nan 8.370 nan 0.000 0.566 253 W N -0.179 121.280 121.300 0.264 0.000 3.043 253 W HA 0.280 4.940 4.660 -0.000 0.000 0.435 253 W C 0.567 177.164 176.519 0.130 0.000 0.851 253 W CA -0.468 56.972 57.345 0.158 0.000 2.031 253 W CB -0.606 28.941 29.460 0.145 0.000 0.919 253 W HN 0.239 nan 8.180 nan 0.000 0.796 254 N N -0.875 117.956 118.700 0.218 0.000 1.986 254 N HA 0.078 4.818 4.740 -0.000 0.000 0.227 254 N C 1.334 176.899 175.510 0.092 0.000 1.387 254 N CA 0.773 53.910 53.050 0.145 0.000 0.810 254 N CB 1.285 39.842 38.487 0.116 0.000 1.140 254 N HN 0.183 nan 8.380 nan 0.000 0.504 255 G N 1.682 110.525 108.800 0.073 0.000 2.157 255 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.239 255 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.239 255 G C -0.020 174.919 174.900 0.065 0.000 0.982 255 G CA -0.253 44.873 45.100 0.043 0.000 0.650 255 G HN 0.219 nan 8.290 nan 0.000 0.527 256 R N 0.963 121.540 120.500 0.129 0.000 2.404 256 R HA 0.593 4.933 4.340 -0.000 0.000 0.291 256 R C 0.614 177.045 176.300 0.219 0.000 1.025 256 R CA 0.354 56.565 56.100 0.185 0.000 0.991 256 R CB 1.056 31.507 30.300 0.252 0.000 1.053 256 R HN 0.396 nan 8.270 nan 0.000 0.479 257 T N -1.789 112.825 114.554 0.101 0.000 2.927 257 T HA 0.691 5.041 4.350 -0.000 0.000 0.286 257 T C -0.319 174.259 174.700 -0.203 0.000 1.040 257 T CA -0.859 61.190 62.100 -0.085 0.000 1.010 257 T CB 1.844 70.632 68.868 -0.133 0.000 1.177 257 T HN 0.641 nan 8.240 nan 0.000 0.546 258 S N -0.367 115.039 115.700 -0.491 0.000 2.578 258 S HA 0.621 5.091 4.470 -0.000 0.000 0.285 258 S C -0.601 173.661 174.600 -0.563 0.000 1.126 258 S CA -0.633 57.223 58.200 -0.574 0.000 0.878 258 S CB 1.017 63.523 63.200 -1.157 0.000 1.091 258 S HN 1.439 nan 8.310 nan 0.000 0.450 259 T N -0.827 113.505 114.554 -0.371 0.000 2.926 259 T HA 0.947 5.297 4.350 -0.000 0.000 0.289 259 T C -0.306 174.270 174.700 -0.206 0.000 1.054 259 T CA -0.694 61.210 62.100 -0.327 0.000 1.015 259 T CB 1.617 70.340 68.868 -0.243 0.000 1.167 259 T HN 2.021 nan 8.240 nan 0.000 0.526 260 A N 1.380 124.115 122.820 -0.142 0.000 2.429 260 A HA 0.662 4.982 4.320 -0.000 0.000 0.289 260 A C -1.568 176.064 177.584 0.079 0.000 1.043 260 A CA -0.833 51.272 52.037 0.112 0.000 0.722 260 A CB 1.179 20.344 19.000 0.274 0.000 1.243 260 A HN 0.773 nan 8.150 nan 0.000 0.415 261 D N 0.654 121.016 120.400 -0.064 0.000 2.198 261 D HA 0.639 5.279 4.640 -0.000 0.000 0.247 261 D C -1.326 174.794 176.300 -0.300 0.000 1.010 261 D CA 0.491 54.443 54.000 -0.080 0.000 0.880 261 D CB 1.119 41.868 40.800 -0.085 0.000 1.209 261 D HN 0.400 nan 8.370 nan 0.000 0.451 262 Y N 0.122 120.456 120.300 0.056 0.000 2.373 262 Y HA 0.566 5.116 4.550 -0.000 0.000 0.336 262 Y C 0.204 176.099 175.900 -0.008 0.000 0.979 262 Y CA -1.084 57.019 58.100 0.004 0.000 1.080 262 Y CB 1.826 40.250 38.460 -0.060 0.000 1.190 262 Y HN 0.412 nan 8.280 nan 0.000 0.446 263 A N 2.451 125.196 122.820 -0.126 0.000 2.264 263 A HA 0.694 5.014 4.320 -0.000 0.000 0.304 263 A C 0.042 177.531 177.584 -0.157 0.000 1.100 263 A CA -0.717 51.120 52.037 -0.332 0.000 0.839 263 A CB 0.283 18.690 19.000 -0.988 0.000 1.121 263 A HN 0.886 nan 8.150 nan 0.000 0.496 264 M N -0.331 119.131 119.600 -0.229 0.000 2.212 264 M HA -0.165 4.315 4.480 -0.000 0.000 0.193 264 M C -0.447 175.940 176.300 0.146 0.000 0.493 264 M CA 0.435 55.705 55.300 -0.049 0.000 0.427 264 M CB -2.050 30.498 32.600 -0.087 0.000 1.120 264 M HN 0.618 nan 8.290 nan 0.000 0.929 265 F N 1.161 121.175 119.950 0.107 0.000 2.443 265 F HA 0.557 5.084 4.527 -0.000 0.000 0.353 265 F C 0.512 176.368 175.800 0.092 0.000 1.101 265 F CA 0.266 58.349 58.000 0.138 0.000 1.226 265 F CB 0.528 39.635 39.000 0.177 0.000 1.140 265 F HN 0.219 nan 8.300 nan 0.000 0.557 266 K N 3.808 123.712 120.400 -0.826 0.000 2.562 266 K HA 0.586 4.906 4.320 -0.000 0.000 0.267 266 K C -1.859 174.295 176.600 -0.743 0.000 0.938 266 K CA -0.859 55.064 56.287 -0.607 0.000 0.840 266 K CB 2.482 34.853 32.500 -0.214 0.000 1.390 266 K HN 0.383 nan 8.250 nan 0.000 0.428 267 V N 1.780 121.450 119.914 -0.406 0.000 2.487 267 V HA 0.529 4.649 4.120 -0.000 0.000 0.298 267 V C 0.476 176.662 176.094 0.153 0.000 1.028 267 V CA -0.684 61.520 62.300 -0.159 0.000 0.860 267 V CB 1.718 33.511 31.823 -0.051 0.000 0.991 267 V HN 0.921 nan 8.190 nan 0.000 0.427 268 G N 5.756 114.605 108.800 0.083 0.000 2.683 268 G HA2 0.417 4.377 3.960 -0.000 0.000 0.260 268 G HA3 0.417 4.377 3.960 -0.000 0.000 0.260 268 G C -2.377 172.310 174.900 -0.355 0.000 1.238 268 G CA -0.721 44.383 45.100 0.006 0.000 0.934 268 G HN 0.552 nan 8.290 nan 0.000 0.534 269 P HA 0.135 nan 4.420 nan 0.000 0.279 269 P C 0.425 177.203 177.300 -0.870 0.000 1.282 269 P CA -0.262 62.281 63.100 -0.929 0.000 0.788 269 P CB 1.547 33.012 31.700 -0.391 0.000 1.139 270 E N -0.002 119.690 120.200 -0.846 0.000 2.106 270 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 270 E C 2.019 178.411 176.600 -0.346 0.000 0.984 270 E CA 1.181 57.097 56.400 -0.806 0.000 0.806 270 E CB -0.478 29.068 29.700 -0.257 0.000 0.750 270 E HN 0.443 nan 8.360 nan 0.000 0.458 271 A N 1.352 124.028 122.820 -0.241 0.000 1.903 271 A HA -0.246 4.074 4.320 -0.000 0.000 0.219 271 A C 1.936 179.440 177.584 -0.133 0.000 1.191 271 A CA 2.111 54.061 52.037 -0.145 0.000 0.638 271 A CB -0.513 18.423 19.000 -0.105 0.000 0.823 271 A HN 0.280 nan 8.150 nan 0.000 0.451 272 D N -1.472 118.839 120.400 -0.148 0.000 2.328 272 D HA 0.048 4.688 4.640 -0.000 0.000 0.226 272 D C -0.224 176.045 176.300 -0.053 0.000 1.066 272 D CA 0.176 54.123 54.000 -0.089 0.000 0.861 272 D CB -0.070 40.687 40.800 -0.072 0.000 0.912 272 D HN 0.147 nan 8.370 nan 0.000 0.521 273 K N -0.083 120.261 120.400 -0.093 0.000 3.200 273 K HA -0.249 4.070 4.320 -0.000 0.000 0.272 273 K C -0.484 176.255 176.600 0.232 0.000 1.150 273 K CA 0.340 56.693 56.287 0.110 0.000 0.801 273 K CB -3.154 29.459 32.500 0.189 0.000 1.269 273 K HN 0.530 nan 8.250 nan 0.000 0.500 274 Y N -1.397 118.998 120.300 0.159 0.000 3.001 274 Y HA -0.335 4.215 4.550 -0.000 0.000 0.199 274 Y C 1.057 177.103 175.900 0.243 0.000 1.320 274 Y CA 0.902 59.070 58.100 0.114 0.000 0.974 274 Y CB -1.105 37.389 38.460 0.056 0.000 1.291 274 Y HN 0.344 nan 8.280 nan 0.000 0.465 275 R N 1.210 121.820 120.500 0.183 0.000 2.623 275 R HA 0.328 4.668 4.340 -0.000 0.000 0.271 275 R C -0.179 176.092 176.300 -0.047 0.000 1.043 275 R CA -0.589 55.581 56.100 0.117 0.000 1.083 275 R CB 0.427 30.738 30.300 0.017 0.000 0.974 275 R HN 0.350 nan 8.270 nan 0.000 0.436 276 L N 3.928 124.990 121.223 -0.269 0.000 2.289 276 L HA 0.467 4.807 4.340 -0.000 0.000 0.285 276 L C -1.007 175.602 176.870 -0.434 0.000 1.049 276 L CA 0.349 54.793 54.840 -0.661 0.000 0.804 276 L CB 1.703 42.900 42.059 -1.437 0.000 1.195 276 L HN 0.869 nan 8.230 nan 0.000 0.428 277 T N 1.912 116.228 114.554 -0.396 0.000 2.932 277 T HA 0.687 5.037 4.350 -0.000 0.000 0.318 277 T C -0.986 173.667 174.700 -0.077 0.000 1.265 277 T CA -0.602 61.349 62.100 -0.249 0.000 1.036 277 T CB 1.149 69.891 68.868 -0.210 0.000 1.209 277 T HN 0.741 nan 8.240 nan 0.000 0.484 278 Y N -0.732 119.531 120.300 -0.062 0.000 2.638 278 Y HA 0.863 5.412 4.550 -0.000 0.000 0.335 278 Y C 0.828 176.778 175.900 0.083 0.000 1.155 278 Y CA -1.160 56.973 58.100 0.055 0.000 1.046 278 Y CB 0.879 39.480 38.460 0.234 0.000 1.303 278 Y HN 0.758 nan 8.280 nan 0.000 0.460 279 A N 1.017 123.967 122.820 0.217 0.000 1.861 279 A HA 0.339 4.659 4.320 -0.000 0.000 0.212 279 A C -0.270 177.584 177.584 0.450 0.000 1.199 279 A CA 1.710 53.885 52.037 0.230 0.000 0.613 279 A CB -0.492 18.681 19.000 0.288 0.000 0.846 279 A HN 1.062 nan 8.150 nan 0.000 0.446 280 Y N -5.339 115.215 120.300 0.424 0.000 2.641 280 Y HA 0.580 5.130 4.550 -0.000 0.000 0.333 280 Y C -0.866 175.310 175.900 0.460 0.000 1.174 280 Y CA -2.236 56.136 58.100 0.453 0.000 1.057 280 Y CB 0.270 38.867 38.460 0.229 0.000 1.322 280 Y HN 0.088 nan 8.280 nan 0.000 0.457 281 F N 3.050 123.187 119.950 0.313 0.000 2.502 281 F HA 0.560 5.087 4.527 -0.000 0.000 0.371 281 F C 0.794 176.599 175.800 0.009 0.000 1.083 281 F CA -0.424 57.511 58.000 -0.107 0.000 1.174 281 F CB 1.162 40.139 39.000 -0.039 0.000 1.096 281 F HN 0.793 nan 8.300 nan 0.000 0.545 282 A N 4.690 127.195 122.820 -0.524 0.000 2.218 282 A HA 0.512 4.832 4.320 -0.000 0.000 0.209 282 A C 1.101 178.276 177.584 -0.683 0.000 1.168 282 A CA 0.598 52.410 52.037 -0.375 0.000 0.804 282 A CB -1.242 17.648 19.000 -0.182 0.000 0.834 282 A HN 1.755 nan 8.150 nan 0.000 0.482 283 G N -2.856 104.930 108.800 -1.691 0.000 2.629 283 G HA2 0.513 4.473 3.960 -0.000 0.000 0.686 283 G HA3 0.513 4.473 3.960 -0.000 0.000 0.686 283 G C -0.055 174.502 174.900 -0.571 0.000 1.232 283 G CA -0.461 43.871 45.100 -1.280 0.000 0.803 283 G HN 2.187 nan 8.290 nan 0.000 0.638 284 G N -0.052 108.671 108.800 -0.129 0.000 2.386 284 G HA2 0.612 4.572 3.960 -0.000 0.000 0.302 284 G HA3 0.612 4.572 3.960 -0.000 0.000 0.302 284 G C 0.263 175.243 174.900 0.133 0.000 1.629 284 G CA 0.708 45.818 45.100 0.018 0.000 0.917 284 G HN 1.528 nan 8.290 nan 0.000 0.676 285 D N 0.076 120.508 120.400 0.052 0.000 2.384 285 D HA -0.006 4.633 4.640 -0.000 0.000 0.222 285 D C 1.886 178.247 176.300 0.102 0.000 0.976 285 D CA 1.067 55.130 54.000 0.106 0.000 0.915 285 D CB 0.066 40.919 40.800 0.089 0.000 0.896 285 D HN 0.650 nan 8.370 nan 0.000 0.523 286 A N 0.516 123.327 122.820 -0.014 0.000 2.021 286 A HA 0.447 4.767 4.320 -0.000 0.000 0.216 286 A C 1.400 179.197 177.584 0.355 0.000 1.163 286 A CA 0.940 52.923 52.037 -0.090 0.000 0.676 286 A CB -0.450 18.352 19.000 -0.329 0.000 0.818 286 A HN 0.624 nan 8.150 nan 0.000 0.453 287 G N -0.663 108.363 108.800 0.377 0.000 2.712 287 G HA2 -0.065 3.894 3.960 -0.000 0.000 0.686 287 G HA3 -0.065 3.894 3.960 -0.000 0.000 0.686 287 G C -0.779 174.085 174.900 -0.060 0.000 1.321 287 G CA -0.071 45.182 45.100 0.255 0.000 0.813 287 G HN 0.372 nan 8.290 nan 0.000 0.599 288 D N 1.235 121.200 120.400 -0.725 0.000 2.468 288 D HA 0.501 5.141 4.640 -0.000 0.000 0.218 288 D C 1.318 177.409 176.300 -0.348 0.000 1.155 288 D CA 0.480 53.903 54.000 -0.961 0.000 0.924 288 D CB 0.651 40.548 40.800 -1.504 0.000 1.029 288 D HN 0.821 nan 8.370 nan 0.000 0.515 289 A N 3.738 126.252 122.820 -0.511 0.000 2.072 289 A HA -0.065 4.255 4.320 -0.000 0.000 0.216 289 A C 1.432 178.921 177.584 -0.159 0.000 1.156 289 A CA 0.282 51.928 52.037 -0.653 0.000 0.701 289 A CB -0.366 17.619 19.000 -1.692 0.000 0.816 289 A HN 0.507 nan 8.150 nan 0.000 0.458 290 F N 0.362 120.220 119.950 -0.153 0.000 2.583 290 F HA -0.036 4.491 4.527 -0.000 0.000 0.297 290 F C 1.295 177.239 175.800 0.241 0.000 1.131 290 F CA 0.893 58.975 58.000 0.136 0.000 1.467 290 F CB -0.667 38.346 39.000 0.020 0.000 1.097 290 F HN 0.334 nan 8.300 nan 0.000 0.586 291 D N -0.269 120.322 120.400 0.320 0.000 2.491 291 D HA 0.353 4.993 4.640 -0.000 0.000 0.228 291 D C 0.854 177.216 176.300 0.103 0.000 1.183 291 D CA 0.612 54.741 54.000 0.215 0.000 0.827 291 D CB -0.160 40.743 40.800 0.171 0.000 0.989 291 D HN 0.226 nan 8.370 nan 0.000 0.494 292 G N 0.351 109.204 108.800 0.088 0.000 2.880 292 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.617 292 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.617 292 G C -0.736 174.176 174.900 0.020 0.000 1.493 292 G CA -0.320 44.781 45.100 0.001 0.000 0.916 292 G HN 0.315 nan 8.290 nan 0.000 0.553 293 F N 0.221 119.987 119.950 -0.306 0.000 2.588 293 F HA 0.497 5.024 4.527 -0.000 0.000 0.314 293 F C -0.398 175.163 175.800 -0.399 0.000 1.134 293 F CA -0.991 56.787 58.000 -0.370 0.000 0.961 293 F CB 1.874 40.565 39.000 -0.516 0.000 1.239 293 F HN 0.376 nan 8.300 nan 0.000 0.448 294 D N 6.668 126.605 120.400 -0.772 0.000 2.662 294 D HA 0.031 4.670 4.640 -0.000 0.000 0.228 294 D C 1.435 177.626 176.300 -0.182 0.000 1.090 294 D CA 0.666 54.408 54.000 -0.430 0.000 1.118 294 D CB -0.544 40.022 40.800 -0.390 0.000 1.129 294 D HN 0.555 nan 8.370 nan 0.000 0.472 295 F N 0.577 120.580 119.950 0.088 0.000 2.287 295 F HA -0.210 4.317 4.527 -0.000 0.000 0.301 295 F C 2.364 178.213 175.800 0.081 0.000 1.069 295 F CA 0.532 58.642 58.000 0.184 0.000 1.372 295 F CB 0.201 39.302 39.000 0.167 0.000 1.056 295 F HN 0.449 nan 8.300 nan 0.000 0.523 296 G N 0.204 109.136 108.800 0.221 0.000 2.253 296 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.251 296 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.251 296 G C 0.504 175.485 174.900 0.135 0.000 0.998 296 G CA 0.497 45.679 45.100 0.136 0.000 0.621 296 G HN 0.390 nan 8.290 nan 0.000 0.524 297 D N 1.028 121.531 120.400 0.172 0.000 2.403 297 D HA 0.370 5.010 4.640 -0.000 0.000 0.227 297 D C 0.531 176.907 176.300 0.126 0.000 0.995 297 D CA 1.528 55.609 54.000 0.134 0.000 0.928 297 D CB 0.198 41.078 40.800 0.134 0.000 0.887 297 D HN 0.515 nan 8.370 nan 0.000 0.529 298 D N -2.840 117.640 120.400 0.133 0.000 2.575 298 D HA 0.006 4.646 4.640 -0.000 0.000 0.214 298 D C -2.396 173.979 176.300 0.125 0.000 1.100 298 D CA -1.093 52.982 54.000 0.125 0.000 0.790 298 D CB 0.846 41.733 40.800 0.144 0.000 2.767 298 D HN -0.306 nan 8.370 nan 0.000 0.474 299 P HA -0.059 nan 4.420 nan 0.000 0.226 299 P C 0.790 178.150 177.300 0.100 0.000 1.146 299 P CA 1.252 64.399 63.100 0.079 0.000 0.773 299 P CB 0.233 31.969 31.700 0.059 0.000 0.772 300 S N -3.364 112.440 115.700 0.173 0.000 2.539 300 S HA 0.068 4.537 4.470 -0.000 0.000 0.221 300 S C 1.416 176.194 174.600 0.297 0.000 0.987 300 S CA -0.309 58.036 58.200 0.242 0.000 0.929 300 S CB -0.506 62.918 63.200 0.374 0.000 0.832 300 S HN -0.006 nan 8.310 nan 0.000 0.492 301 D N 2.927 123.469 120.400 0.236 0.000 2.157 301 D HA -0.213 4.427 4.640 -0.000 0.000 0.191 301 D C 1.759 178.110 176.300 0.086 0.000 1.004 301 D CA 1.798 55.919 54.000 0.201 0.000 0.854 301 D CB -0.184 40.719 40.800 0.173 0.000 0.936 301 D HN 0.438 nan 8.370 nan 0.000 0.446 302 K N 0.753 121.167 120.400 0.023 0.000 2.015 302 K HA -0.209 4.111 4.320 -0.000 0.000 0.216 302 K C 2.052 178.641 176.600 -0.018 0.000 1.052 302 K CA 1.262 57.531 56.287 -0.030 0.000 0.937 302 K CB -1.106 31.378 32.500 -0.027 0.000 0.719 302 K HN 0.166 nan 8.250 nan 0.000 0.446 303 F N -0.032 119.848 119.950 -0.117 0.000 2.161 303 F HA -0.071 4.456 4.527 -0.000 0.000 0.300 303 F C 1.494 177.127 175.800 -0.279 0.000 1.089 303 F CA 1.385 59.244 58.000 -0.235 0.000 1.282 303 F CB -0.367 38.409 39.000 -0.373 0.000 1.010 303 F HN 0.059 nan 8.300 nan 0.000 0.485 304 F N 0.328 120.055 119.950 -0.372 0.000 2.780 304 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 304 F C 2.152 177.769 175.800 -0.304 0.000 1.146 304 F CA 1.127 58.873 58.000 -0.423 0.000 1.428 304 F CB -0.785 38.148 39.000 -0.112 0.000 1.115 304 F HN 0.125 nan 8.300 nan 0.000 0.583 305 T N -3.967 110.512 114.554 -0.126 0.000 3.084 305 T HA 0.184 4.534 4.350 -0.000 0.000 0.270 305 T C 0.741 175.273 174.700 -0.280 0.000 1.008 305 T CA 0.046 62.053 62.100 -0.155 0.000 0.900 305 T CB -0.616 68.198 68.868 -0.091 0.000 1.084 305 T HN 0.052 nan 8.240 nan 0.000 0.538 306 S N 0.752 116.288 115.700 -0.273 0.000 2.600 306 S HA 0.332 4.802 4.470 -0.000 0.000 0.265 306 S C 0.322 174.719 174.600 -0.338 0.000 1.325 306 S CA -0.264 57.835 58.200 -0.170 0.000 1.002 306 S CB 0.658 63.792 63.200 -0.111 0.000 0.921 306 S HN 0.487 nan 8.310 nan 0.000 0.554 307 H N -0.984 118.114 119.070 0.046 0.000 3.205 307 H HA 0.368 4.923 4.556 -0.000 0.000 0.252 307 H C 0.294 175.510 175.328 -0.186 0.000 1.015 307 H CA -0.246 55.764 56.048 -0.063 0.000 1.192 307 H CB 0.093 29.764 29.762 -0.151 0.000 1.474 307 H HN 0.551 nan 8.280 nan 0.000 0.484 308 N N 1.117 119.820 118.700 0.006 0.000 2.454 308 N HA 0.036 4.775 4.740 -0.000 0.000 0.260 308 N C 1.192 176.587 175.510 -0.191 0.000 1.218 308 N CA 1.602 54.548 53.050 -0.173 0.000 0.904 308 N CB 0.668 38.864 38.487 -0.487 0.000 1.065 308 N HN 0.718 nan 8.380 nan 0.000 0.462 309 G N 2.482 111.151 108.800 -0.218 0.000 2.176 309 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.253 309 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.253 309 G C 0.367 175.218 174.900 -0.083 0.000 0.979 309 G CA 0.187 45.200 45.100 -0.146 0.000 0.641 309 G HN 0.518 nan 8.290 nan 0.000 0.530 310 M N 0.510 120.068 119.600 -0.070 0.000 2.227 310 M HA 0.415 4.895 4.480 -0.000 0.000 0.316 310 M C 0.861 177.260 176.300 0.164 0.000 1.144 310 M CA 0.102 55.429 55.300 0.045 0.000 1.121 310 M CB 0.508 33.167 32.600 0.099 0.000 1.440 310 M HN 0.339 nan 8.290 nan 0.000 0.473 311 Q N -0.080 119.863 119.800 0.239 0.000 2.195 311 Q HA 0.483 4.823 4.340 -0.000 0.000 0.250 311 Q C -1.202 175.093 176.000 0.492 0.000 0.988 311 Q CA -0.686 55.335 55.803 0.362 0.000 0.911 311 Q CB 1.387 30.260 28.738 0.225 0.000 1.258 311 Q HN 0.436 nan 8.270 nan 0.000 0.475 312 F N 0.720 120.875 119.950 0.342 0.000 2.412 312 F HA 0.231 4.758 4.527 -0.000 0.000 0.348 312 F C -0.349 175.572 175.800 0.202 0.000 1.102 312 F CA 0.188 58.219 58.000 0.051 0.000 1.196 312 F CB 0.986 39.944 39.000 -0.070 0.000 1.144 312 F HN 0.294 nan 8.300 nan 0.000 0.541 313 S N 2.125 117.592 115.700 -0.389 0.000 2.526 313 S HA 0.707 5.177 4.470 -0.000 0.000 0.293 313 S C -0.638 173.795 174.600 -0.278 0.000 1.092 313 S CA -0.761 57.353 58.200 -0.144 0.000 0.980 313 S CB 1.849 64.986 63.200 -0.106 0.000 1.048 313 S HN 0.740 nan 8.310 nan 0.000 0.483 314 T N -0.591 113.945 114.554 -0.029 0.000 2.912 314 T HA 0.395 4.745 4.350 -0.000 0.000 0.299 314 T C 1.101 175.752 174.700 -0.083 0.000 1.052 314 T CA -1.090 60.980 62.100 -0.049 0.000 0.996 314 T CB 0.846 69.748 68.868 0.057 0.000 1.070 314 T HN 0.865 nan 8.240 nan 0.000 0.465 315 W N 3.011 124.336 121.300 0.042 0.000 2.303 315 W HA -0.181 4.479 4.660 -0.000 0.000 0.287 315 W C -0.006 176.543 176.519 0.050 0.000 1.213 315 W CA 1.892 59.257 57.345 0.034 0.000 1.203 315 W CB -0.812 28.668 29.460 0.033 0.000 1.136 315 W HN 0.773 nan 8.180 nan 0.000 0.547 316 D N -0.083 119.619 120.400 -1.163 0.000 2.738 316 D HA 0.121 4.760 4.640 -0.000 0.000 0.246 316 D C -0.755 175.260 176.300 -0.475 0.000 1.270 316 D CA -0.376 52.987 54.000 -1.062 0.000 0.833 316 D CB -1.112 38.571 40.800 -1.862 0.000 1.040 316 D HN 0.299 nan 8.370 nan 0.000 0.487 317 N N 0.618 119.149 118.700 -0.281 0.000 3.409 317 N HA -0.028 4.712 4.740 -0.000 0.000 0.169 317 N C -1.855 173.571 175.510 -0.140 0.000 1.443 317 N CA -0.275 52.622 53.050 -0.254 0.000 0.933 317 N CB 0.444 38.733 38.487 -0.330 0.000 1.669 317 N HN -0.018 nan 8.380 nan 0.000 0.640 318 D N 0.929 121.268 120.400 -0.102 0.000 2.339 318 D HA 0.145 4.785 4.640 -0.000 0.000 0.256 318 D C -0.267 176.008 176.300 -0.041 0.000 1.214 318 D CA 0.539 54.515 54.000 -0.040 0.000 0.877 318 D CB 0.488 41.286 40.800 -0.002 0.000 1.111 318 D HN 0.565 nan 8.370 nan 0.000 0.478 319 N N 2.965 121.660 118.700 -0.008 0.000 2.299 319 N HA 0.046 4.786 4.740 -0.000 0.000 0.246 319 N C -0.703 174.833 175.510 0.044 0.000 1.254 319 N CA -0.573 52.483 53.050 0.010 0.000 0.879 319 N CB 0.646 39.153 38.487 0.032 0.000 1.214 319 N HN 0.473 nan 8.380 nan 0.000 0.510 320 D N -0.007 120.422 120.400 0.049 0.000 2.506 320 D HA 0.161 4.801 4.640 -0.000 0.000 0.272 320 D C 0.396 176.749 176.300 0.089 0.000 1.214 320 D CA -0.305 53.736 54.000 0.069 0.000 1.067 320 D CB 0.738 41.574 40.800 0.059 0.000 1.117 320 D HN -0.269 nan 8.370 nan 0.000 0.578 321 K N -0.372 120.093 120.400 0.109 0.000 2.965 321 K HA 0.252 4.572 4.320 -0.000 0.000 0.216 321 K C -0.947 175.751 176.600 0.163 0.000 1.164 321 K CA -0.475 55.892 56.287 0.133 0.000 1.153 321 K CB -0.604 31.985 32.500 0.149 0.000 1.045 321 K HN 0.405 nan 8.250 nan 0.000 0.460 322 F N 0.179 120.111 119.950 -0.030 0.000 2.577 322 F HA 0.241 4.768 4.527 -0.000 0.000 0.318 322 F C 1.523 177.293 175.800 -0.051 0.000 1.065 322 F CA -0.817 57.139 58.000 -0.073 0.000 0.929 322 F CB 1.790 40.737 39.000 -0.089 0.000 1.237 322 F HN -0.134 nan 8.300 nan 0.000 0.468 323 E N 2.366 122.100 120.200 -0.776 0.000 2.012 323 E HA -0.020 4.330 4.350 -0.000 0.000 0.197 323 E C 1.034 177.582 176.600 -0.086 0.000 1.007 323 E CA 1.521 57.646 56.400 -0.457 0.000 0.816 323 E CB -0.596 28.734 29.700 -0.617 0.000 0.762 323 E HN 0.875 nan 8.360 nan 0.000 0.451 324 G N -0.200 108.688 108.800 0.147 0.000 2.582 324 G HA2 0.050 4.010 3.960 -0.000 0.000 0.232 324 G HA3 0.050 4.010 3.960 -0.000 0.000 0.232 324 G C -0.244 174.908 174.900 0.419 0.000 1.458 324 G CA -0.306 45.048 45.100 0.424 0.000 1.062 324 G HN 0.319 nan 8.290 nan 0.000 0.566 325 N N -0.972 117.847 118.700 0.199 0.000 2.621 325 N HA 0.200 4.940 4.740 -0.000 0.000 0.237 325 N C 1.084 176.518 175.510 -0.126 0.000 0.997 325 N CA -0.757 52.325 53.050 0.054 0.000 0.918 325 N CB 0.682 39.220 38.487 0.084 0.000 1.122 325 N HN 0.313 nan 8.380 nan 0.000 0.510 326 c N 2.037 120.488 118.600 -0.249 0.000 2.398 326 c HA -0.180 4.390 4.570 -0.000 0.000 0.276 326 c C 2.705 176.672 174.090 -0.204 0.000 1.222 326 c CA 1.284 57.389 56.329 -0.373 0.000 1.746 326 c CB -1.188 41.120 42.510 -0.338 0.000 2.039 326 c HN 0.886 nan 8.230 nan 0.000 0.470 327 A N -0.379 122.382 122.820 -0.099 0.000 2.125 327 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 327 A C 2.068 179.695 177.584 0.073 0.000 1.156 327 A CA 1.887 53.911 52.037 -0.022 0.000 0.671 327 A CB -0.547 18.428 19.000 -0.041 0.000 0.794 327 A HN 0.794 nan 8.150 nan 0.000 0.459 328 E N -0.824 119.411 120.200 0.059 0.000 2.307 328 E HA -0.066 4.284 4.350 -0.000 0.000 0.195 328 E C 1.940 178.542 176.600 0.003 0.000 0.975 328 E CA 0.342 56.810 56.400 0.114 0.000 0.878 328 E CB -0.059 29.744 29.700 0.172 0.000 0.845 328 E HN 0.747 nan 8.360 nan 0.000 0.488 329 Q N 0.358 120.063 119.800 -0.157 0.000 2.049 329 Q HA -0.124 4.216 4.340 -0.000 0.000 0.198 329 Q C 1.320 177.167 176.000 -0.255 0.000 0.971 329 Q CA 1.500 57.065 55.803 -0.398 0.000 0.833 329 Q CB 0.070 28.191 28.738 -1.029 0.000 0.896 329 Q HN 0.202 nan 8.270 nan 0.000 0.434 330 D N -0.549 119.758 120.400 -0.154 0.000 2.234 330 D HA 0.033 4.673 4.640 -0.000 0.000 0.205 330 D C 0.478 176.856 176.300 0.130 0.000 0.962 330 D CA 1.116 55.159 54.000 0.072 0.000 0.855 330 D CB 0.100 41.022 40.800 0.204 0.000 0.951 330 D HN 0.405 nan 8.370 nan 0.000 0.500 331 G N 0.301 109.164 108.800 0.105 0.000 2.341 331 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.278 331 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.278 331 G C 0.142 175.144 174.900 0.169 0.000 1.111 331 G CA 0.471 45.642 45.100 0.118 0.000 0.982 331 G HN 0.532 nan 8.290 nan 0.000 0.502 332 S N -1.592 114.227 115.700 0.198 0.000 2.790 332 S HA 0.935 5.405 4.470 -0.000 0.000 0.292 332 S C -0.108 174.543 174.600 0.085 0.000 1.197 332 S CA -0.159 58.185 58.200 0.240 0.000 0.851 332 S CB 1.873 65.232 63.200 0.266 0.000 1.217 332 S HN 1.873 nan 8.310 nan 0.000 0.526 333 G N -0.020 108.671 108.800 -0.183 0.000 2.683 333 G HA2 0.610 4.570 3.960 -0.000 0.000 0.299 333 G HA3 0.610 4.570 3.960 -0.000 0.000 0.299 333 G C -1.475 172.783 174.900 -1.070 0.000 1.432 333 G CA -0.603 43.822 45.100 -1.124 0.000 0.978 333 G HN 0.681 nan 8.290 nan 0.000 0.513 334 W N 2.817 123.090 121.300 -1.712 0.000 2.799 334 W HA 0.330 4.990 4.660 -0.000 0.000 0.416 334 W C -1.361 174.521 176.519 -1.062 0.000 1.108 334 W CA -1.106 55.492 57.345 -1.246 0.000 1.169 334 W CB 1.082 30.369 29.460 -0.288 0.000 1.471 334 W HN 0.431 nan 8.180 nan 0.000 0.586 335 W N 4.773 125.778 121.300 -0.490 0.000 1.738 335 W HA 0.235 4.895 4.660 -0.000 0.000 0.399 335 W C -0.036 176.578 176.519 0.158 0.000 0.744 335 W CA -0.380 56.858 57.345 -0.177 0.000 1.695 335 W CB -0.256 29.044 29.460 -0.266 0.000 1.820 335 W HN -0.144 nan 8.180 nan 0.000 0.262 336 M N 1.229 120.988 119.600 0.265 0.000 2.233 336 M HA 0.022 4.502 4.480 -0.000 0.000 0.350 336 M C 0.907 177.281 176.300 0.123 0.000 1.176 336 M CA 0.409 55.846 55.300 0.229 0.000 1.150 336 M CB 0.753 33.380 32.600 0.044 0.000 1.530 336 M HN 0.195 nan 8.290 nan 0.000 0.459 337 N N 2.242 120.969 118.700 0.046 0.000 2.528 337 N HA 0.228 4.967 4.740 -0.000 0.000 0.208 337 N C -0.548 174.977 175.510 0.025 0.000 1.218 337 N CA 0.450 53.490 53.050 -0.017 0.000 1.112 337 N CB 0.723 39.112 38.487 -0.163 0.000 1.423 337 N HN 0.643 nan 8.380 nan 0.000 0.497 338 K N 0.110 120.517 120.400 0.011 0.000 3.333 338 K HA 0.366 4.686 4.320 -0.000 0.000 0.173 338 K C -0.856 175.739 176.600 -0.008 0.000 1.138 338 K CA -0.211 56.110 56.287 0.057 0.000 0.771 338 K CB -0.438 32.138 32.500 0.128 0.000 0.982 338 K HN 0.330 nan 8.250 nan 0.000 0.572 339 c N 0.376 118.867 118.600 -0.182 0.000 2.478 339 c HA 0.347 4.917 4.570 -0.000 0.000 0.397 339 c C -0.013 173.974 174.090 -0.171 0.000 1.360 339 c CA 0.111 56.247 56.329 -0.321 0.000 2.191 339 c CB -0.240 41.868 42.510 -0.670 0.000 2.654 339 c HN 0.895 nan 8.230 nan 0.000 0.548 340 H N -2.728 116.400 119.070 0.097 0.000 3.003 340 H HA 0.669 5.225 4.556 -0.000 0.000 0.327 340 H C -0.309 175.210 175.328 0.318 0.000 1.353 340 H CA -0.227 55.977 56.048 0.261 0.000 1.142 340 H CB 0.624 30.545 29.762 0.265 0.000 1.864 340 H HN -0.112 nan 8.280 nan 0.000 0.529 341 A N 0.354 123.602 122.820 0.713 0.000 2.048 341 A HA 0.580 4.900 4.320 -0.000 0.000 0.197 341 A C 0.887 178.541 177.584 0.116 0.000 1.486 341 A CA 0.504 52.712 52.037 0.285 0.000 1.029 341 A CB 0.099 19.164 19.000 0.109 0.000 1.101 341 A HN 1.126 nan 8.150 nan 0.000 0.470 342 G N -0.298 108.612 108.800 0.183 0.000 2.990 342 G HA2 0.495 4.455 3.960 -0.000 0.000 0.300 342 G HA3 0.495 4.455 3.960 -0.000 0.000 0.300 342 G C -1.254 173.729 174.900 0.138 0.000 1.498 342 G CA -0.122 44.990 45.100 0.022 0.000 1.074 342 G HN 0.377 nan 8.290 nan 0.000 0.542 343 H N 4.093 123.004 119.070 -0.264 0.000 2.725 343 H HA 0.276 4.832 4.556 -0.000 0.000 0.283 343 H C 0.452 175.343 175.328 -0.729 0.000 1.110 343 H CA -0.774 54.772 56.048 -0.835 0.000 1.289 343 H CB 0.998 30.270 29.762 -0.817 0.000 1.400 343 H HN 0.341 nan 8.280 nan 0.000 0.493 344 L N 3.182 123.802 121.223 -1.005 0.000 2.592 344 L HA 0.080 4.420 4.340 -0.000 0.000 0.227 344 L C 0.457 177.033 176.870 -0.489 0.000 1.127 344 L CA 0.217 54.766 54.840 -0.486 0.000 0.884 344 L CB -0.028 42.032 42.059 0.002 0.000 1.065 344 L HN 0.527 nan 8.230 nan 0.000 0.457 345 N N 0.132 118.418 118.700 -0.690 0.000 2.235 345 N HA 0.125 4.865 4.740 -0.000 0.000 0.231 345 N C 0.944 176.158 175.510 -0.493 0.000 1.177 345 N CA 0.060 52.866 53.050 -0.408 0.000 0.874 345 N CB 0.738 39.297 38.487 0.120 0.000 1.097 345 N HN 0.140 nan 8.380 nan 0.000 0.518 346 G N -0.207 108.034 108.800 -0.931 0.000 2.467 346 G HA2 0.195 4.155 3.960 -0.000 0.000 0.243 346 G HA3 0.195 4.155 3.960 -0.000 0.000 0.243 346 G C -0.130 174.630 174.900 -0.233 0.000 1.521 346 G CA -0.198 44.489 45.100 -0.689 0.000 1.055 346 G HN 0.013 nan 8.290 nan 0.000 0.553 347 V N -0.311 119.533 119.914 -0.118 0.000 2.607 347 V HA 0.191 4.311 4.120 -0.000 0.000 0.289 347 V C -0.628 175.390 176.094 -0.127 0.000 1.053 347 V CA -0.460 61.765 62.300 -0.123 0.000 0.996 347 V CB 1.401 33.072 31.823 -0.253 0.000 0.995 347 V HN 0.467 nan 8.190 nan 0.000 0.476 348 Y N 5.117 125.278 120.300 -0.232 0.000 2.627 348 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 348 Y C -0.370 175.409 175.900 -0.202 0.000 1.099 348 Y CA -0.354 57.673 58.100 -0.122 0.000 1.408 348 Y CB -0.165 38.272 38.460 -0.038 0.000 1.247 348 Y HN 0.553 nan 8.280 nan 0.000 0.506 349 Y N 3.116 123.243 120.300 -0.289 0.000 2.299 349 Y HA 0.232 4.782 4.550 -0.000 0.000 0.326 349 Y C 0.472 176.150 175.900 -0.370 0.000 1.164 349 Y CA -0.367 57.561 58.100 -0.287 0.000 1.234 349 Y CB 0.830 39.052 38.460 -0.396 0.000 1.219 349 Y HN 0.463 nan 8.280 nan 0.000 0.497 350 Q N 0.901 120.580 119.800 -0.202 0.000 2.293 350 Q HA 0.429 4.769 4.340 -0.000 0.000 0.251 350 Q C 0.963 176.417 176.000 -0.909 0.000 0.930 350 Q CA 0.957 56.463 55.803 -0.495 0.000 0.893 350 Q CB 1.021 29.657 28.738 -0.171 0.000 1.215 350 Q HN 0.894 nan 8.270 nan 0.000 0.425 351 G N 1.959 109.659 108.800 -1.833 0.000 2.328 351 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.256 351 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.256 351 G C 0.861 174.863 174.900 -1.497 0.000 1.014 351 G CA 0.628 44.944 45.100 -1.307 0.000 0.620 351 G HN 1.777 nan 8.290 nan 0.000 0.530 352 G N -1.951 105.946 108.800 -1.505 0.000 2.336 352 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.233 352 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.233 352 G C 0.517 175.260 174.900 -0.263 0.000 1.053 352 G CA 1.098 45.648 45.100 -0.917 0.000 0.625 352 G HN 1.748 nan 8.290 nan 0.000 0.511 353 T N 1.389 115.893 114.554 -0.083 0.000 2.889 353 T HA 0.635 4.985 4.350 -0.000 0.000 0.291 353 T C -0.317 174.430 174.700 0.078 0.000 0.995 353 T CA 0.837 62.976 62.100 0.066 0.000 1.092 353 T CB 1.112 69.993 68.868 0.023 0.000 0.954 353 T HN 1.232 nan 8.240 nan 0.000 0.506 354 Y N -0.558 119.644 120.300 -0.164 0.000 2.779 354 Y HA 0.668 5.218 4.550 -0.000 0.000 0.340 354 Y C -0.454 175.263 175.900 -0.305 0.000 1.252 354 Y CA -1.134 56.807 58.100 -0.266 0.000 1.072 354 Y CB 0.541 38.655 38.460 -0.576 0.000 1.343 354 Y HN 0.740 nan 8.280 nan 0.000 0.450 355 S N -0.031 115.407 115.700 -0.437 0.000 3.287 355 S HA 0.430 4.900 4.470 -0.000 0.000 0.324 355 S C -0.126 174.243 174.600 -0.386 0.000 1.205 355 S CA -0.593 57.090 58.200 -0.862 0.000 1.020 355 S CB 1.189 63.881 63.200 -0.847 0.000 1.398 355 S HN 0.738 nan 8.310 nan 0.000 0.679 356 K N 0.690 120.832 120.400 -0.430 0.000 2.211 356 K HA 0.168 4.488 4.320 -0.000 0.000 0.203 356 K C 1.854 178.402 176.600 -0.086 0.000 1.050 356 K CA 1.166 57.376 56.287 -0.128 0.000 0.945 356 K CB -0.497 31.922 32.500 -0.135 0.000 0.732 356 K HN 0.600 nan 8.250 nan 0.000 0.451 357 A N 0.849 123.592 122.820 -0.128 0.000 2.235 357 A HA 0.019 4.339 4.320 -0.000 0.000 0.208 357 A C 1.740 179.316 177.584 -0.014 0.000 1.172 357 A CA 0.703 52.696 52.037 -0.074 0.000 0.786 357 A CB -0.200 18.743 19.000 -0.094 0.000 0.804 357 A HN 0.106 nan 8.150 nan 0.000 0.479 358 S N -0.421 115.300 115.700 0.035 0.000 2.425 358 S HA 0.017 4.487 4.470 -0.000 0.000 0.225 358 S C 1.064 175.750 174.600 0.143 0.000 1.024 358 S CA 1.056 59.338 58.200 0.138 0.000 0.951 358 S CB -0.006 63.339 63.200 0.242 0.000 0.796 358 S HN 0.798 nan 8.310 nan 0.000 0.498 359 T N -0.365 114.249 114.554 0.100 0.000 2.863 359 T HA 0.463 4.813 4.350 -0.000 0.000 0.285 359 T C -2.837 171.833 174.700 -0.050 0.000 1.009 359 T CA -2.059 60.072 62.100 0.052 0.000 0.989 359 T CB 1.803 70.717 68.868 0.078 0.000 1.004 359 T HN -0.241 nan 8.240 nan 0.000 0.455 360 P HA 0.078 nan 4.420 nan 0.000 0.236 360 P C 0.201 177.402 177.300 -0.166 0.000 1.172 360 P CA 0.595 63.642 63.100 -0.087 0.000 0.759 360 P CB -0.071 31.596 31.700 -0.054 0.000 0.843 361 N N -2.507 115.996 118.700 -0.329 0.000 2.159 361 N HA 0.227 4.967 4.740 -0.000 0.000 0.217 361 N C 0.958 176.182 175.510 -0.476 0.000 1.223 361 N CA 0.506 53.237 53.050 -0.531 0.000 0.896 361 N CB 0.169 37.993 38.487 -1.106 0.000 1.064 361 N HN -0.056 nan 8.380 nan 0.000 0.518 362 G N 0.602 109.245 108.800 -0.263 0.000 2.198 362 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.260 362 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.260 362 G C -0.391 174.582 174.900 0.121 0.000 1.025 362 G CA -0.126 44.948 45.100 -0.043 0.000 0.769 362 G HN 0.440 nan 8.290 nan 0.000 0.507 363 Y N 0.700 121.102 120.300 0.171 0.000 2.480 363 Y HA 0.256 4.806 4.550 -0.000 0.000 0.338 363 Y C 1.429 177.496 175.900 0.279 0.000 1.220 363 Y CA -0.271 57.936 58.100 0.178 0.000 1.430 363 Y CB 0.653 39.201 38.460 0.148 0.000 1.311 363 Y HN 0.312 nan 8.280 nan 0.000 0.575 364 D N 1.633 122.278 120.400 0.409 0.000 2.706 364 D HA -0.007 4.633 4.640 -0.000 0.000 0.236 364 D C -0.246 176.284 176.300 0.384 0.000 1.231 364 D CA -0.326 53.871 54.000 0.329 0.000 0.828 364 D CB -0.956 39.804 40.800 -0.066 0.000 1.015 364 D HN 0.742 nan 8.370 nan 0.000 0.484 365 N N -0.313 118.635 118.700 0.414 0.000 2.263 365 N HA 0.309 5.049 4.740 -0.000 0.000 0.239 365 N C 0.691 176.304 175.510 0.171 0.000 1.317 365 N CA -0.288 52.963 53.050 0.335 0.000 0.909 365 N CB 0.597 39.273 38.487 0.315 0.000 1.171 365 N HN 0.210 nan 8.380 nan 0.000 0.492 366 G N -1.151 107.667 108.800 0.030 0.000 2.515 366 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.686 366 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.686 366 G C -0.567 174.216 174.900 -0.195 0.000 1.274 366 G CA -0.710 44.348 45.100 -0.069 0.000 0.874 366 G HN 0.651 nan 8.290 nan 0.000 0.631 367 I N 1.846 122.310 120.570 -0.176 0.000 2.472 367 I HA 0.226 4.395 4.170 -0.000 0.000 0.305 367 I C 1.306 177.395 176.117 -0.046 0.000 1.196 367 I CA 0.150 61.335 61.300 -0.193 0.000 1.613 367 I CB -1.019 36.883 38.000 -0.163 0.000 1.501 367 I HN 0.508 nan 8.210 nan 0.000 0.754 368 I N 1.770 122.326 120.570 -0.024 0.000 2.982 368 I HA 0.577 4.747 4.170 -0.000 0.000 0.312 368 I C -0.605 175.659 176.117 0.245 0.000 1.041 368 I CA -0.671 60.696 61.300 0.112 0.000 1.053 368 I CB 2.737 40.774 38.000 0.061 0.000 1.248 368 I HN 0.612 nan 8.210 nan 0.000 0.471 369 W N 3.483 124.810 121.300 0.044 0.000 1.021 369 W HA 0.319 4.979 4.660 -0.000 0.000 0.324 369 W C 0.538 177.074 176.519 0.028 0.000 0.932 369 W CA -0.022 57.350 57.345 0.045 0.000 1.145 369 W CB 0.874 30.360 29.460 0.044 0.000 1.215 369 W HN 0.949 nan 8.180 nan 0.000 0.463 370 A N 1.158 123.930 122.820 -0.080 0.000 2.030 370 A HA -0.407 3.913 4.320 -0.000 0.000 0.226 370 A C 1.922 179.197 177.584 -0.515 0.000 1.282 370 A CA 3.448 55.256 52.037 -0.381 0.000 0.691 370 A CB -1.214 17.361 19.000 -0.708 0.000 0.829 370 A HN 0.755 nan 8.150 nan 0.000 0.497 371 T N -6.692 107.675 114.554 -0.311 0.000 3.227 371 T HA 0.020 4.370 4.350 -0.000 0.000 0.257 371 T C 0.930 175.831 174.700 0.334 0.000 1.162 371 T CA 1.246 63.368 62.100 0.036 0.000 1.051 371 T CB -0.184 68.741 68.868 0.094 0.000 0.953 371 T HN 0.684 nan 8.240 nan 0.000 0.535 372 W N 0.702 122.085 121.300 0.138 0.000 4.545 372 W HA 0.455 5.115 4.660 -0.000 0.000 0.198 372 W C -0.315 176.270 176.519 0.110 0.000 1.012 372 W CA -0.161 57.286 57.345 0.169 0.000 1.903 372 W CB 0.898 30.501 29.460 0.239 0.000 0.746 372 W HN -0.196 nan 8.180 nan 0.000 0.948 373 K N 0.489 121.018 120.400 0.215 0.000 2.395 373 K HA 0.310 4.630 4.320 -0.000 0.000 0.247 373 K C -0.107 176.527 176.600 0.058 0.000 0.973 373 K CA -0.590 55.728 56.287 0.052 0.000 0.828 373 K CB 1.252 33.898 32.500 0.243 0.000 1.272 373 K HN -0.196 nan 8.250 nan 0.000 0.439 374 T N 0.102 114.665 114.554 0.016 0.000 2.716 374 T HA -0.040 4.310 4.350 -0.000 0.000 0.335 374 T C 1.442 176.109 174.700 -0.054 0.000 1.081 374 T CA 0.371 62.463 62.100 -0.012 0.000 1.073 374 T CB 0.416 69.299 68.868 0.025 0.000 0.993 374 T HN 0.668 nan 8.240 nan 0.000 0.547 375 R N 0.986 121.319 120.500 -0.279 0.000 2.285 375 R HA 0.007 4.347 4.340 -0.000 0.000 0.213 375 R C 1.048 177.050 176.300 -0.497 0.000 1.068 375 R CA 0.987 56.798 56.100 -0.482 0.000 1.004 375 R CB -0.003 29.684 30.300 -1.021 0.000 0.873 375 R HN 0.622 nan 8.270 nan 0.000 0.467 376 W N 0.180 121.332 121.300 -0.247 0.000 3.015 376 W HA 0.250 4.910 4.660 -0.000 0.000 0.429 376 W C -0.797 175.480 176.519 -0.403 0.000 0.976 376 W CA -1.080 55.877 57.345 -0.646 0.000 2.086 376 W CB -0.039 29.027 29.460 -0.656 0.000 1.125 376 W HN -0.019 nan 8.180 nan 0.000 0.721 377 Y N 1.029 121.353 120.300 0.040 0.000 2.326 377 Y HA 0.410 4.960 4.550 -0.000 0.000 0.331 377 Y C -0.136 175.934 175.900 0.284 0.000 0.962 377 Y CA -1.008 57.182 58.100 0.150 0.000 1.167 377 Y CB 1.338 39.849 38.460 0.085 0.000 1.148 377 Y HN -0.256 nan 8.280 nan 0.000 0.463 378 S N 7.522 123.176 115.700 -0.077 0.000 2.438 378 S HA 0.501 4.971 4.470 -0.000 0.000 0.293 378 S C -0.154 174.339 174.600 -0.178 0.000 1.141 378 S CA -0.979 57.180 58.200 -0.067 0.000 1.080 378 S CB 0.013 63.186 63.200 -0.045 0.000 0.978 378 S HN 0.643 nan 8.310 nan 0.000 0.479 379 M N 4.193 123.744 119.600 -0.082 0.000 2.243 379 M HA 0.090 4.570 4.480 -0.000 0.000 0.309 379 M C 1.389 177.587 176.300 -0.170 0.000 1.050 379 M CA 0.569 55.832 55.300 -0.063 0.000 1.139 379 M CB -0.243 32.333 32.600 -0.041 0.000 1.457 379 M HN 0.812 nan 8.290 nan 0.000 0.440 380 K N 1.246 121.337 120.400 -0.514 0.000 2.141 380 K HA 0.089 4.409 4.320 -0.000 0.000 0.202 380 K C 0.127 176.487 176.600 -0.399 0.000 1.045 380 K CA 0.911 56.548 56.287 -1.083 0.000 0.971 380 K CB 0.596 31.942 32.500 -1.923 0.000 0.795 380 K HN 0.524 nan 8.250 nan 0.000 0.459 381 K N 0.193 120.416 120.400 -0.295 0.000 2.328 381 K HA 0.301 4.621 4.320 -0.000 0.000 0.246 381 K C -1.297 175.206 176.600 -0.162 0.000 0.955 381 K CA -0.660 55.527 56.287 -0.167 0.000 0.817 381 K CB 2.263 34.650 32.500 -0.188 0.000 1.208 381 K HN -0.100 nan 8.250 nan 0.000 0.432 382 T N 0.224 114.680 114.554 -0.162 0.000 3.012 382 T HA 0.359 4.709 4.350 -0.000 0.000 0.330 382 T C -1.877 172.680 174.700 -0.238 0.000 1.321 382 T CA -0.453 61.525 62.100 -0.204 0.000 1.067 382 T CB 1.671 70.435 68.868 -0.172 0.000 1.235 382 T HN 0.644 nan 8.240 nan 0.000 0.479 383 T N 3.740 118.123 114.554 -0.284 0.000 3.193 383 T HA 0.649 4.998 4.350 -0.000 0.000 0.332 383 T C -1.565 172.904 174.700 -0.384 0.000 1.208 383 T CA -0.615 61.287 62.100 -0.329 0.000 1.080 383 T CB 0.846 69.534 68.868 -0.299 0.000 1.180 383 T HN 0.543 nan 8.240 nan 0.000 0.469 384 M N 5.152 124.446 119.600 -0.511 0.000 2.190 384 M HA 0.540 5.020 4.480 -0.000 0.000 0.312 384 M C -0.565 175.249 176.300 -0.810 0.000 0.990 384 M CA -0.775 54.121 55.300 -0.673 0.000 0.927 384 M CB 2.156 34.212 32.600 -0.906 0.000 1.571 384 M HN 0.638 nan 8.290 nan 0.000 0.427 385 K N 3.713 123.859 120.400 -0.423 0.000 2.482 385 K HA 0.919 5.239 4.320 -0.000 0.000 0.257 385 K C -1.165 175.565 176.600 0.217 0.000 0.969 385 K CA -0.976 55.255 56.287 -0.093 0.000 0.842 385 K CB 2.611 35.101 32.500 -0.016 0.000 1.359 385 K HN 0.803 nan 8.250 nan 0.000 0.441 386 I N -1.313 119.475 120.570 0.363 0.000 3.108 386 I HA 0.768 4.938 4.170 -0.000 0.000 0.312 386 I C -1.008 175.281 176.117 0.286 0.000 1.095 386 I CA -1.314 60.189 61.300 0.339 0.000 1.000 386 I CB 2.146 40.299 38.000 0.254 0.000 1.229 386 I HN 0.869 nan 8.210 nan 0.000 0.454 387 I N 1.874 122.545 120.570 0.168 0.000 2.842 387 I HA 0.431 4.601 4.170 -0.000 0.000 0.296 387 I C -2.897 173.062 176.117 -0.263 0.000 1.538 387 I CA -1.811 59.400 61.300 -0.148 0.000 0.994 387 I CB 2.919 40.383 38.000 -0.894 0.000 1.372 387 I HN 0.404 nan 8.210 nan 0.000 0.478 388 P HA 0.014 nan 4.420 nan 0.000 0.262 388 P C 0.024 177.117 177.300 -0.344 0.000 1.182 388 P CA 0.297 62.974 63.100 -0.706 0.000 0.761 388 P CB 0.188 31.571 31.700 -0.528 0.000 0.795 389 F N 4.694 124.443 119.950 -0.335 0.000 2.161 389 F HA -0.191 4.336 4.527 -0.000 0.000 0.300 389 F C 1.498 177.201 175.800 -0.162 0.000 1.089 389 F CA 1.357 59.249 58.000 -0.180 0.000 1.282 389 F CB -0.389 38.559 39.000 -0.087 0.000 1.010 389 F HN 0.310 nan 8.300 nan 0.000 0.485 390 N N 1.102 119.664 118.700 -0.230 0.000 2.626 390 N HA -0.078 4.662 4.740 -0.000 0.000 0.226 390 N C -0.202 175.130 175.510 -0.296 0.000 1.376 390 N CA 0.215 53.105 53.050 -0.267 0.000 0.894 390 N CB -0.425 37.978 38.487 -0.140 0.000 1.218 390 N HN 0.249 nan 8.380 nan 0.000 0.492 391 R N 0.255 120.531 120.500 -0.375 0.000 2.686 391 R HA 0.368 4.708 4.340 -0.000 0.000 0.283 391 R C -0.234 175.864 176.300 -0.337 0.000 0.978 391 R CA -0.853 55.050 56.100 -0.328 0.000 0.897 391 R CB 0.769 30.849 30.300 -0.368 0.000 1.192 391 R HN 0.055 nan 8.270 nan 0.000 0.457 392 L N 0.000 121.077 121.223 -0.243 0.000 2.949 392 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 392 L CA 0.000 54.730 54.840 -0.183 0.000 0.813 392 L CB 0.000 41.993 42.059 -0.110 0.000 0.961 392 L HN 0.000 nan 8.230 nan 0.000 0.502